N-Heptane (CAS 142-82-5) ist eine chemische Verbindung mit der Summenformel C7H16 und einer Molmasse von 100.20 g/mol. Chemische Daten von PubChem (National Institutes of Health, USA).

Was ist die CAS-Nummer von N-Heptane?

Die CAS-Nummer (Chemical Abstracts Service) für N-Heptane ist 142-82-5.

Was ist die chemische Formel von N-Heptane?

Die Summenformel von N-Heptane ist C7H16. IUPAC-Name: heptane.

Wo kann man N-Heptane (CAS 142-82-5) kaufen?

N-Heptane (CAS 142-82-5) ist erhältlich im Shop Eapearl Chemical: https://epchems.online/products/n-heptane/. Aktuelle Preis- und Verfügbarkeitsinformationen finden Sie auf der Produktseite.

N-Heptane

n-Heptane

CAS 142-82-5 EC 205-563-8 C7H16 Precursor CLP Danger

📄 Sicherheitsdatenblatt herunterladen (PDF)

MolGod_SDSCARD_1

REACH 2020/878

v2 · 21.09.2026

Specification

Product Name	n-Heptane
Other Names	n-Heptane
CAS No.	142-82-5
EINECS No.	205-563-8
MF	C7H16
Molecular weight	100.21
Purity	99.5%
Appearance	Colorless, transparent and highly volatile liquid
Density	0.684 g/cm³
Melting point	-90.5 °C
Boiling point	98.4 °C
Solubility	-4 °C

Values are typical for the standard grade. Tighter specifications are available — state the target in your inquiry and we confirm against the production batch.

Hazard classification

Danger

Harmonised classification (EU) — ECHA Annex VI (harmonised, ATP 23; 2026-07-07)

H225 Highly flammable liquid and vapour
H304 May be fatal if swallowed and enters airways
H336 May cause drowsiness or dizziness
H315 Causes skin irritation
H400 Very toxic to aquatic life
H410 Very toxic to aquatic life with long lasting effects

Precautionary statements (31)

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking
P233 Keep container tightly closed
P240 Ground and bond container and receiving equipment
P241 Use explosion-proof electrical/ventilating/lighting equipment
P242 Use non-sparking tools
P243 Take action to prevent static discharges
P261 Avoid breathing dust/fume/gas/mist/vapours/spray
P264 Wash thoroughly after handling
P271 Use only outdoors or in a well-ventilated area
P273 Avoid release to the environment
P280 Wear protective gloves/protective clothing/eye protection/face protection
P301+P316
P302+P352
P303+P361+P353
P304+P340
P319
P321 Specific treatment
P331 Do NOT induce vomiting
P332+P317
P362+P364
P370+P378
P391 Collect spillage
P403+P233
P403+P235
P405 Store locked up
P501 Dispose of contents/container to an approved waste collection point
P260 Do not breathe dust/fume/gas/mist/vapours/spray
P264+P265
P270 Do not eat, drink or smoke when using this product
P305+P351+P338
P337+P317

European Chemicals Agency. "heptane; n-heptane, Index No. 601-008-00-2." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Packaging and shipping

Drum180 kg

IBC Drum1127 kg

ISO tank (20ft)24–26 m³

ISO tank (40ft)48–50 m³

A full-range supplier of high-purity environmentally friendly solvents for n-heptane. We provide solutions for various applications such as rubber extraction, polymer synthesis, electronic cleaning, paint dilution, and chromatographic analysis. Our products have high purity, low toxicity, and are available in a stable supply.
N-heptane (also known as normal heptane) is a colorless, transparent, volatile liquid with a slight gasoline-like odor. Its molecular formula is C₇H₁₆ and its molecular weight is 100.21. It is a typical representative of straight-chain saturated aliphatic hydrocarbons (alkanes). As a low-polarity, low-toxicity, and highly soluble environmental-friendly solvent, n-heptane is widely used in industrial solvents, extraction, fuel standard testing, electronic cleaning, and organic synthesis. Its low aromatic content and moderate volatility make it an ideal alternative to traditional aromatic solvents such as benzene and toluene.

N-heptane (normal heptane) is used in rubber extraction, polymer synthesis, electronic cleaning, paint dilution, chromatographic analysis, etc. It has high purity and low toxicity.

Product Description

Anhui Eapearl Chemical Co., Ltd., as a professional chemical supplier in China, strictly adheres to all national laws and regulations regarding the management of hazardous chemicals. We are committed to providing our customers with high-quality, stable and reliable n-heptane (straight-chain alkane) products. We emphasize its core value as a high-purity, low-aromatic, low-toxic and environmentally friendly straight-chain alkane solvent and standard substance. At the same time, safety, compliance and efficiency are placed at the top of our operational priorities.

Product Introduction

N-heptane (also known as normal heptane) is a colorless, transparent, volatile liquid with a slight gasoline-like odor. Its molecular formula is C₇H₁₆ and its molecular weight is 100.21. It is a typical representative of straight-chain saturated aliphatic hydrocarbons (alkanes). As a low-polarity, low-toxicity, and highly soluble environmental-friendly solvent, n-heptane is widely used in industrial solvents, extraction, fuel standard testing, electronic cleaning, and organic synthesis. Its low aromatic content and moderate volatility make it an ideal alternative to traditional aromatic solvents such as benzene and toluene.

The core value of n-heptane lies in its high purity, low toxicity, low aromatic content, good solubility, and moderate volatility, which makes it a key raw material in multiple industrial fields.

Industrial solvents (the largest application field):

Paints, inks and adhesives: As an excellent diluent and solvent, it can effectively dissolve various resins and pigments, adjust the viscosity of products, improve the workability and leveling, and is regarded as an environmentally friendly solvent due to its low toxicity.

Rubber industry: Used for the dissolution of quick-drying rubber adhesives, it is an important solvent in rubber processing.

Extraction and cleaning:

Oil and spice extraction: Utilizing its good solubility for non-polar substances, it is used for the extraction of active ingredients from animal and plant oils and natural spices.

Precision instruments and electronic cleaning: High-purity n-heptane can be used for the cleaning of industrial equipment and electronic components, removing oil stains and residues, and is applied in semiconductor and liquid crystal panel manufacturing.

Fuel standard testing (reference substance):

Octane number determination: As the benchmark fuel for the determination of gasoline anti-knock performance, its octane number is defined as 0 and is the core reference substance for evaluating gasoline quality.

Organic synthesis and pharmaceutical intermediates:

Reaction solvents and raw materials: As an inert solvent or reaction medium in organic synthesis reactions, it is also used for the synthesis of chemicals such as heptanol, heptaldehyde, heptanoic acid, and some drug intermediates.

Research and testing:

Chromatography analysis reference substance: In gas chromatography analysis, it serves as a standard reference substance. Biochemical and environmental protection testing: used for ozone measurement, triglyceride analysis, pesticide residue detection, as well as spectroscopy and fluorescence analysis, etc.

N-heptane (normal heptane) is used in rubber extraction, polymer synthesis, electronic cleaning, paint dilution, chromatographic analysis, etc. It has high purity and low toxicity.

Delivery&Payment method

N-heptane (normal heptane) is used in rubber extraction, polymer synthesis, electronic cleaning, paint dilution, chromatographic analysis, etc. It has high purity and low toxicity.

Frequently asked

In what packaging is n-Heptane shipped?

Standard formats are Drum (180 kg), IBC Drum (1127 kg), ISO tank (20ft) (24–26 m³), ISO tank (40ft) (48–50 m³). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for n-Heptane?

Yes, on request. Safety data sheets are issued per grade and destination market; state the country of import in your inquiry.

What purity do you supply?

The standard grade is 99.5%. Tighter specifications are confirmed against the production batch before shipment.

Related products

Toluene

C7H8 · 92.14 g/mol · specification on request

CAS 108-88-3 Precursor Danger

Trichloroethylene

PCE

CAS 127-18-4 99.5% Precursor Warning

Tetrahydrofuran

THF

CAS 109-99-9 99% Precursor SDS Danger

🧬 3D-Molekül-Visualisierer

Daten transkribiert aus regulatorischen Registern und Fachliteratur, unter Angabe von Quelle und Ausgabe. Sie ersetzen nicht das Sicherheitsdatenblatt des Lieferanten. Felder ohne hinterlegte Quelle sind als solche gekennzeichnet.

📊 Physikochemische Daten — CAS 142-82-5MolGod_PROPHUB_MAIN

📊 Physikochemische Eigenschaften

Kurzübersicht

Formel: C₇H₁₆

MW: 100.2 g/mol

CAS: 142-82-5

🔬 Erweiterte Eigenschaften

Chemische Kennungen

SMILES: CCCCCCC

Zuletzt aktualisiert: unbestätigt

Eigenschaft	Wert	Einheit	Bedingungen	Quelle
Schmelzpunkt	-90.56 ^[1]^[2]	°C	1 atm	PubChem PUG-View (2026)
Siedepunkt	98.39 ^[1]^[2]	°C		PubChem PUG-View (2026)
Wasserlöslichkeit	0.003 ^[1]	g/L	25°C	PubChem PUG-View (2026)
Dichte (ρ)	0.68 ^[1]	g/cm³		PubChem PUG-View (2026)
logP (Octanol/Wasser)	4.4 ^[1]	—		PubChem PUG-View (2026)

Chemische Übersicht: HeptaneMolGod_OVERVIEW_1

Summenformel	C₇H₁₆^[1]
Molekulargewicht	100.2 g/mol^[1]
Schmelzpunkt	-90.56 °C^[1]^[2]
Siedepunkt	98.39 °C^[1]^[2]
Dichte	0.68 g/cm³^[1]
LogP (Lipophilie)	4.4^[1]
IUPAC-Name	heptane^[1]
SMILES	`CCCCCCC`^[1]
InChIKey	`IMNFDUFMRHMDMM-UHFFFAOYSA-N`^[1]

Synonyme: HEPTANE · n-Heptane · 142-82-5 · Heptan · Heptyl hydride

Datenquellen: PubChem (NLM/NIH)
Zuletzt aktualisiert: 2026-09-21

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (2 Quellen)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Summenformel · Molekulargewicht · Schmelzpunkt · Siedepunkt · Dichte · LogP (Lipophilie) · IUPAC-Name · SMILES · InChIKey
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Schmelzpunkt · Siedepunkt

WISSENSCHAFTLICHE FORSCHUNG

[1]Europe PMC2026

A Novel Class of "Super-Strained" Spiro Heterocycles: Gateway to 1-Azaspiro[3.3]heptane Derivatives, and Biological Validation.

et al.. (2026). "A Novel Class of "Super-Strained" Spiro Heterocycles: Gateway to 1-Azaspiro[3.3]heptane Derivatives, and Biological Validation.". https://doi.org/10.1002/anie.3488479

[2]Europe PMC2026

Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.

et al.. (2026). "Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.". https://doi.org/10.1021/acs.orglett.6c02332

[3]Europe PMC2026

2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.

et al.. (2026). "2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.". https://doi.org/10.1039/d5md00992h

[4]Europe PMC2026

Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.

et al.. (2026). "Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.". https://doi.org/10.1039/d5ra09720g

[5]Europe PMC2026

High-Pressure Density Measurements and Modeling of Hydrocarbons: 1-Hexene, 2, 4-Dimethylhexane, 2,2,4-Trimethylpentane, and n-Heptane.

et al.. (2026). "High-Pressure Density Measurements and Modeling of Hydrocarbons: 1-Hexene, 2, 4-Dimethylhexane, 2,2,4-Trimethylpentane, and n-Heptane.". https://doi.org/10.1007/s10765-026-03823-6

[6]Europe PMC2026

Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M…

et al.. (2026). "Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M - 2H]+• and [M - nH]+ (n = 1, 3, 5).". https://doi.org

[7]Europe PMC2026

Three-Component Difluoroalkylative Alkynylation of [3.1.1]Propellane Enables Modular Bicyclo[3.1.1]heptane Synthesis.

et al.. (2026). "Three-Component Difluoroalkylative Alkynylation of [3.1.1]Propellane Enables Modular Bicyclo[3.1.1]heptane Synthesis.". https://doi.org/10.1021/acs.joc.6c01371

[8]Europe PMC2025

Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.

et al.. (2025). "Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.". https://doi.org/10.1021/acs.orglett.5c01265

📚 Wissenschaftliche Referenzen (Chicago Author-Date) 18 refs · 4 baz

MOLECULE Bibliografie pro CAS (live aus 13+ Datenbanken)

Quellen: db:Europe PMC (14) · db:pubmed (1) · db:arxiv (2) · db:crossref (1)

db:Europe PMC et al.. (2026). "A Novel Class of "Super-Strained" Spiro Heterocycles: Gateway to 1-Azaspiro[3.3]heptane Derivatives, and Biological Validation.". https://doi.org/10.1002/anie.3488479 →
db:Europe PMC et al.. (2026). "Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.". https://doi.org/10.1021/acs.orglett.6c02332 →
db:Europe PMC et al.. (2026). "2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.". https://doi.org/10.1039/d5md00992h →
db:Europe PMC et al.. (2026). "Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.". https://doi.org/10.1039/d5ra09720g →
db:Europe PMC et al.. (2026). "High-Pressure Density Measurements and Modeling of Hydrocarbons: 1-Hexene, 2, 4-Dimethylhexane, 2,2,4-Trimethylpentane, and n-Heptane.". https://doi.org/10.1007/s10765-026-03823-6 →
db:Europe PMC et al.. (2026). "Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M - 2H]+• and [M - nH]+ (n = 1, 3, 5).". https://doi.org/10.5702/massspectrometry.a0193 →
db:Europe PMC et al.. (2026). "Three-Component Difluoroalkylative Alkynylation of [3.1.1]Propellane Enables Modular Bicyclo[3.1.1]heptane Synthesis.". https://doi.org/10.1021/acs.joc.6c01371 →
db:Europe PMC et al.. (2025). "Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.". https://doi.org/10.1021/acs.orglett.5c01265 →
db:Europe PMC et al.. (2025). "Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes.". https://doi.org/10.1002/anie.202513774 →
db:pubmed Dibchak D, Mykhailiuk PK. (2025). "3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene.". Angewandte Chemie (International ed. in English). https://doi.org/10.1002/anie.202505519 →
db:Europe PMC et al.. (2025). "Understanding the Reactivity of N-Heptane Blended with Ethanol or Ethyl Acetate.". https://doi.org/10.1021/acsomega.4c10828 →
db:Europe PMC (2025). "Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance.". https://doi.org/10.1002/asia.202500290 →
db:Europe PMC (2025). "Recent Advances in the Synthesis of Bicyclo[4.1.0]Heptane Scaffolds.". https://doi.org/10.1002/asia.202500824 →
db:Europe PMC (2025). "Field Ionization Mass Spectrometric and Quantum Chemical Analysis of Alkyl Fragment Ions Produced by Field Dissociation of n-Heptane, 2-Methyl Hexane, and 2-Methyl Heptane.". https://doi.org/10.1021/jasms.5c00127 →
db:Europe PMC et al.. (2025). "Novel oxabicyclo[2.2.1]heptane-3-one derivatives with NO inhibitory and cytotoxic activities, and xanthone derivatives from the endolichenic fungus Exophiala sp.". https://doi.org/10.1016/j.bioorg.2025.108843 →
db:arxiv Luis Felipe Sanz, Juan Antonio González, Fernando Hevia et al.. (2024). "Thermodynamics of mixtures containing amines. XVII. Excess molar enthalpy and volume measurements for benzylamine + heptane or + 1-alkanol mixtures at 298.15 K. Application of the DISQUAC and ERAS models". arXiv (2410.00799v1). https://doi.org/10.1016/j.fluid.2022.113460 →
db:arxiv Liang Ji, Kalyanasundaram Seshadri, Forman A. Williams. (2024). "Experimental and Computational Investigation of the Influence of Ethanol on Auto-ignition of n-Heptane in Non-Premixed Flows". arXiv (2406.08507v1).
db:crossref L. T. Carmichael, B. H. Sage. (1956). "Diffusion coefficients in hydrocarbon systems: n‐heptane in the gas phase of the ethane–n‐heptane and propane–n‐heptane systems". AIChE Journal. https://doi.org/10.1002/aic.690020227 →

Regulatorischer Status der Substanz

Diese Substanz unterliegt regulatorischen Anforderungen: Bewirtschaftung gefährlicher Abfälle (BDO-Register). Details im Abschnitt "Regulatorischer Status (REACH/ECHA/CLP)" und im SDS. Regulatorische Information — schränkt den Kauf in diesem Shop nicht ein.

🧮 Stöchiometrie-RechnerMolGod_STOICH_1

🧪 Chemische DatenMolGod_CHEMDATA_1

CAS-Nummer: 142-82-5
Summenformel: C7H16
Molmasse: 100.20 g/mol
IUPAC-Name (EN): heptane
SMILES: CCCCCCC
InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N

📚 Literatura naukowa (20 Artikel)MolGod_LITSCI_1

🔓

Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules. 3 citations

et al. · (2025)

DOI ↗PubMed ↗PDF ↗

🔒

Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes. 4 citations

et al. · (2025)

DOI ↗PubMed ↗

🔓

3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene. 11 citations

Dibchak D, Mykhailiuk PK · (2025) · Angewandte Chemie (International ed. in English)

DOI ↗PubMed ↗PDF ↗

🔓

A Novel Class of "Super-Strained" Spiro Heterocycles: Gateway to 1-Azaspiro[3.3]heptane Derivatives, and Biological Validation.

et al. · (2026)

DOI ↗PubMed ↗PDF ↗

🔓

Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.

et al. · (2026)

DOI ↗PubMed ↗PDF ↗

Filtern:

Sortieren:

📈 Zeitachse der Publikationen

1956

2014

2024

2025

2026

See all 20 articles →

📡 Data sourcesMolGod_SOURCES_1

The data in this widget comes from the following verified scientific sources:

PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2

Temp. wrzenia: 98.4
Temp. topnienia: -90.6
Density: 0.684

Source: PubChem, NIST WebBook. Last updated: date not confirmed

🔍 Externe IdentifikatorenMolGod_EXTID_1

12 von 16 ID-Systemen75%

Datenbank	Identifikator	Aktionen
CAS Registry Number	142-82-5	Öffnen →
PubChem CID	8900^[1]	Öffnen →
InChIKey	IMNFDUFMRHMDMM-UHFFFAOYSA-N^[1]	Öffnen →
InChI	InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3^[1]
SMILES	CCCCCCC^[1]
EC Number	205-563-8^[2]	Öffnen →
ChEMBL	CHEMBL134658^[3]	Öffnen →
HMDB	HMDB0031447	Öffnen →
ChemSpider	8560^[4]	Öffnen →
UNII (FDA)	456148SDMJ	Öffnen →
NSC Number (NCI)	62784	Öffnen →
WikiData QID	Q310957	Öffnen →

Quellen: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Wissenschaftliche Referenzen (Chicago Author-Date) (4 Quellen)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider

Dalsza literatura

Publications thematically related to this CAS. They are not the source of any value given on this card.

Bibliografie (erweitert) (3)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "n-Heptane.". https://doi.org/10.31003/uspnf_x2r2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "n-Heptane, Chromatographic.". https://doi.org/10.31003/uspnf_r2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Chromatographic n-Heptane.". https://doi.org/10.31003/uspnf_xr2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)

📡 Spektroskopie — CAS 142-82-5MolGod_SPECHUB_MAIN

📊 Spektroskopische Spektrendatenbanken — Inline-Daten 9 Quellen MolGod_SPECDB_2

Spektren werden bei Bedarf aus 9 Quellen abgerufen. Jedes Spektrum wird in unserer Datenbank gespeichert — beim nächsten Öffnen erfolgt keine Anfrage an die externe API. Laden Sie JCAMP-DX / CSV / PNG zu jedem Spektrum herunter, ohne zu suchen.

IR IR (Infrared) — NIST WebBook

Public domain (US Federal)

▶ Klicken, um das Spektrum zu laden

🔗 Quelle

— Punkte

📚 NIST Chemistry WebBook, SRD 69

MS (NIST) Mass Spectrum (EI) — NIST WebBook

Public domain (US Federal)

▶ Klicken, um das Spektrum zu laden

🔗 Quelle

— Punkte

📚 NIST Standard Reference Database 1A

UV-Vis UV/Visible Absorption — NIST WebBook

Public domain (US Federal)

▶ Klicken, um das Spektrum zu laden

🔗 Quelle

— Punkte

📚 NIST Chemistry WebBook, SRD 69

¹H NMR NMR (¹H, ¹³C) — NMRShiftDB

CC-BY-SA 4.0

▶ Klicken, um das Spektrum zu laden

🔗 Quelle

— Punkte

📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g

MS (MoNA) MoNA — MassBank of North America

CC-BY 4.0

▶ Klicken, um das Spektrum zu laden

🔗 Quelle

— Punkte

📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777

IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)

Free for non-commercial

Referenzquelle — keine öffentliche API. In einer externen Datenbank öffnen:

🔗 IR/NMR/MS (SDBS) →

📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)

JP Monograph Japanese Pharmacopoeia — Monographs

Reference only

Referenzquelle — keine öffentliche API. In einer externen Datenbank öffnen:

🔗 JP Monograph →

📚 Japanese Pharmacopoeia 18th Edition (2021)

WHO INN WHO — International Nonproprietary Names

WHO Model Lists (free)

Referenzquelle — keine öffentliche API. In einer externen Datenbank öffnen:

🔗 WHO INN →

📚 WHO INN Programme

DOAJ DOAJ — Directory of Open Access Journals

OA journal index (mixed)

Referenzquelle — keine öffentliche API. In einer externen Datenbank öffnen:

🔗 DOAJ →

📚 DOAJ — doaj.org

🔬 Interaktive Spektren (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Daten werden live aus mehreren Quellen abgerufen (Priority-Chain). JCAMP-DX / CSV / PNG stehen unter jedem Spektrum zum Download bereit. ⓘ Eine Quelle ★★☆☆☆ ⓘ Eine Quelle ★★☆☆☆

IR — Fourier-Transform-Infrarot

IR — Fourier-Transform-Infrarot wird geladen…

MS — Massenspektrometrie (EI 70eV)

MS — Massenspektrometrie (EI 70eV) wird geladen…

Strukturelle EigenschaftenMolGod_STRUCT3D_1

Strukturdaten werden geladen...

❓ Häufig gestellte Fragen (3)MolGod_FAQ_1

What is 142-82-5?

142-82-5 (CAS 142-82-5) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Hilfreich?

What is the CAS number of 142-82-5?

The CAS number for 142-82-5 is 142-82-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

Hilfreich?

How should 142-82-5 be stored?

142-82-5 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.

Hilfreich?

➕ Frage vorschlagen

Strukturdateien herunterladenMolGod_STRDL_1

Molekülstrukturdateien aus der PubChem-Datenbank (NIH). Kompatibel mit Avogadro, PyMOL, Jmol und ChemDraw.

📄 .SDF 📄 .MOL 📈 3D JSON 🌐 Weitere Formate (PubChem)

Quelle: PubChem, National Library of Medicine (NIH). CID: 8900

🔄 Umrechner für Konzentrationseinheiten LIVE MolGod_UNITCONV_1

Geben Sie die Konzentration Heptane in einer beliebigen Einheit ein — der Rest wird automatisch berechnet.

MW: 100.20 g/mol · IUPAC Gold Book ↗

⚗️ Umrechnungsformeln + Zitate (pro Formel)

Umrechnung	Formel	Genauigkeit	Quelle
% (w/v) ↔ molarity	c (mol/L) = (% × 10) / MW	±0.5% rel. when density ≈ 1.0 g/mL	IUPAC (2019)
millimolar ↔ molar	c (mol/L) = mM × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)	c = n/V = (m/MW)/V	±0.1% (depends on MW precision)	IUPAC (2019)
parts per million (mg/L) ↔ molarity	c (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous	±1% (density-independent for dilute solutions)	IUPAC (2019)
mg/mL ↔ molarity	c (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1	±0.2%	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarity	c (mol/L) = (g/L) / MW	±0.1% (depends on MW precision)	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarity	c (mol/L) = mmol/L × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ Kelvin	T(K) = t(°C) + 273.15	±0.01 K (ITS-90 scale)	BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit	T(°F) = T(°C) × 9/5 + 32	±0.1 °F	Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity	c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL	±0.1% when ρ known to 3 decimals	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)

📚 Bibliographie (8 autoritative Quellen)

Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
→ Primary SI standard for US scientific usage
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
→ Canonical IUPAC guide for chemistry quantities/units
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
→ International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
→ General rules for physical quantities and units
ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
→ Concentration / molality / amount-of-substance conventions
Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
→ Avogadro, gas constant, molar volume (2019 SI revision)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
→ Definitions of mass fraction, molality, normality, ppm, activity
Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
→ Historical predecessor of IUPAC Green Book

Ähnliche MolekülstrukturenMolGod_SIMSTR_1

Ähnliche Strukturen werden geladen...

🧪 Assistent zur Lösungsvorbereitung WIZARD MolGod_PREP_1

① Konzentration auswählen

② Zielvolumen

③ Lösungsmittel

Berechnungen nach: IUPAC Gold Book ↗, Merck ↗

ComputerchemieMolGod_COMPCHEM_1

Berechnungsdaten werden geladen...

🛡️ Sicherheit — CAS 142-82-5MolGod_SAFEHUB_MAIN

Hinweis zu Datenbeschränkungen. Die Sicherheitsinformationen auf dieser Seite dienen nur zur Information und ersetzen kein vollständiges Sicherheitsdatenblatt (SDS). Konsultieren Sie vor der Verwendung des Produkts das aktuelle Sicherheitsdatenblatt des Herstellers sowie die GHS/CLP-Leitlinien. Die CLP-Einstufung bezieht sich auf die reine Bulk-Substanz, nicht auf handelsübliche Zubereitungen.

GHS/CLP-Einstufung — Verordnung (EG) Nr. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Gefahr (Danger)

GHS02 Entzündbar

GHS07 Reizend / gesundheitsschädlich

GHS08 Gesundheitsgefahr

GHS09 Umweltgefahr

🚨 Gefahrenhinweise (H)

H225 — Flüssigkeit und Dampf leicht entzündbar.
H304 — Kann bei Verschlucken und Eindringen in die Atemwege tödlich sein.
H336 — Kann Schläfrigkeit und Benommenheit verursachen.
H315 — Verursacht Hautreizungen.
H400 — Sehr giftig für Wasserorganismen.
H410 — Sehr giftig für Wasserorganismen mit langfristiger Wirkung.

🛡 Sicherheitshinweise (P)

P210 — Von Hitze, heißen Oberflächen, Funken, offenen Flammen und anderen Zündquellenarten fernhalten. Nicht rauchen.

✓ Harmonisierte Einstufung gemäß Anhang VI der CLP-Verordnung (EG) 1272/2008 (amtliche, verbindliche Einstufung). Indexnummer: 601-008-00-2.

Referenz (Chicago): European Chemicals Agency. "heptane; n-heptane, Index No. 601-008-00-2." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Übersetzungen: CLP-Verordnung (EG) 1272/2008, Anhang III und IV. Daten: PubChem/NLM.

📚 Konsolidierte wissenschaftliche Referenzen — Chicago Author-Date 10 Quellen

Referenzen aus allen Safety-Hub-Registerkarten gesammelt. CAS: 142-82-5 · PubChem ↗

Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Vorschriften
United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Registerkarten mit eigenen Referenzen (Emergency, PPE, Storage, Waste) enthalten zusätzliche bibliografische Einträge in ihren jeweiligen Abschnitten.

📈 Analytische Statistik (t-Test · RSD · Grubbs · Q-Dixon) ICH Q2

Fügen Sie eine Serie von Messwiederholungen ein (CSV oder eine Zahl pro Zeile). Der Rechner berechnet Mittelwert, Standardabweichung und 95% CI und erkennt Ausreißer (Grubbs + Dixon Q).

Messergebnisse:

Trennzeichen: Komma, Leerzeichen, Tab, Zeilenumbruch. Min. 3 Messungen.

📐 Statistische Formeln

x̄ = Σxᵢ / n — arithmetisches Mittel
s² = Σ(xᵢ - x̄)² / (n-1) — Stichprobenvarianz
s = √s² — Standardabweichung
RSD% = (s / x̄) × 100% — relative Standardabweichung
CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
G = |xᵢ - x̄| / s — Grubbs-Test
Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Quelle: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Puffer-Rezept-Rechner EINZIGARTIG

Wählen Sie einen Puffer aus der Liste von 20 gängigen Systemen → geben Sie den Ziel-pH-Wert ein → Sie erhalten ein exaktes Rezept mit den einzuwiegenden Massen.

Schritt 1: Puffersystem wählen

📜 Rezeptverlauf (letzte 10)

Pharmakologischer Status

Prekliniczny

Phase I

Phase II

Phase III

Zugelassen

Präklinisch — keine Daten aus Studien am Menschen.

ChEMBL CHEMBL134658 ↗

Bibliografie (erweitert) (3)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "n-Heptane.". https://doi.org/10.31003/uspnf_x2r2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "n-Heptane, Chromatographic.". https://doi.org/10.31003/uspnf_r2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Chromatographic n-Heptane.". https://doi.org/10.31003/uspnf_xr2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)

🚚 Transportklassifizierung (ADR / IATA / IMDG) UN 1206

UN-Nummer

UN 1206

UN-Nummer gemäß angegebener Quelle. Transportklasse und Verpackungsgruppe vor dem Versand in ADR Tabelle A / UN-Modellvorschriften prüfen. Sugerowana z klasyfikacji GHS — WYMAGA WERYFIKACJI.

Quelle: Karta SDS sek.14 (kanon zmaterializowany)

🛣️ ADR Straßentransport

Klasse:
Verpackungsgruppe:
Versandbezeichnung:

Quellen: ADR 2025 ↗ · IATA DGR ↗ · IMDG Code ↗

📅 Project Planner — Manager für Laborexperimente NEU

Planen Sie Ihr gesamtes Laborprojekt: Fügen Sie Experimente mit Reagenzien, Wiederholungen und Dauer hinzu. Sie erhalten ein Gantt-Diagramm, eine Einkaufsliste (mit Links zum Shop!), ein Budget mit 10% Reserve und eine GHS-Risikomatrix.

🧪 Löslichkeit und Lösungsmittelkompatibilität MolGod_SOLUB_1

Molekül

Heptane

Formel

C7H16

logP (XLogP3)

4.40

Masse (g/mol)

100.20

Polarität

Hydrophob (unpolar)

⚠️ HSP-Schätzung (Literatur / Group Contribution). Richtwerte — ersetzen keine experimentellen Untersuchungen.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 7..

Lösungsmittel	Compat.	Ra	GC-MS	HPLC	Anwendungen	Referenzen
Water (H₂O)	0.003 g/L (pomiar)	45.2	✗ Nie	A (aqueous) (RP)	buffercell cultureanalyticalextraction (hydrophilic)	Hansen (2007) ↗NIST ↗CRC ↗IAPWS ↗Reichardt 2011 ↗GESTIS ↗
Ethanol (EtOH)	− Schwach	21.3	✗ Nie	A/B modifier (RP/NP)	extractionspectroscopy (UV-Vis)synthesisHPLC modifier	Hansen (2007) ↗NIST ↗CRC ↗Snyder & Kirkland ↗Smallwood ↗GESTIS ↗
Methanol (MeOH)	− Schwach	25.5	✗ Nie	A/B (RP) (RP)	HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm	Snyder & Kirkland ↗NIST ↗CRC ↗Snyder & Kirkland ↗GESTIS ↗
Acetone	− Schwach	12.5	✗ Nie	B modifier (NP)	GC headspacecrystallisationdegreasingsynthesis	Reichardt (2011) ↗NIST ↗CRC ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
Acetonitrile (ACN)	− Schwach	19.0	✗ Nie	B (RP) (RP)	HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis	Aguilar, M.I. ↗NIST ↗CRC ↗Snyder & Kirkland ↗Reichardt 2011 ↗GESTIS ↗
DMSO	− Schwach	20.3	✗ Nie	N/A (N/A)	NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis	Wypych, G. ↗NIST ↗Wypych 2019 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
THF	~ Mittel	10.3	✗ Nie	B (NP) (NP)	GPC/SEC (polymer analysis)Grignard synthesisorganometallics	Armarego (2009) ↗NIST ↗Armarego 2009 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
DCM (CH₂Cl₂)	− Schwach	10.5	✓ Tak	B (NP) (NP)	extractionNP-HPLCGC-MScrystallisation (anti-solvent)	NIST WebBook ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Chloroform (CHCl₃)	~ Mittel	8.2	✓ Tak	N/A (toxic) (N/A)	NMR (CDCl3)lipid extraction (Folch method)NP-TLC	IARC Monographs ↗NIST ↗IARC 73 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Hexane	+ Gut	0.8	✓ Tak	A (NP) (NP)	NP-HPLCoil extraction (lipids)GC-MSTLC (NP)	Dass, C. (2011) ↗NIST ↗ATSDR n-Hexane ↗Hansen 2007 ↗Snyder & Kirkland ↗GESTIS ↗
Toluene	+ Gut	5.9	✓ Tak	B (NP) (NP)	NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)	GESTIS DGUV ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗

Quellen: PubChem (NIH) · Hansen Solubility Database

📚 Wissenschaftliche Referenzen für Lösungsmittel (Chicago Author-Date) — zum Aufklappen klicken

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)

NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
IAPWS — IAPWS Release on Static Dielectric Constant of Water
Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
GESTIS — GESTIS Substance Database — Water

Ethanol (EtOH)

NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
CRC — CRC Handbook — Ethanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
Smallwood — Handbook of Organic Solvent Properties — Ethanol
GESTIS — GESTIS Substance Database — Ethanol

Methanol (MeOH)

NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
CRC — CRC Handbook — Methanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
GESTIS — GESTIS Substance Database — Methanol

Acetone

NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
CRC — CRC Handbook — Acetone physical & thermodynamic constants
Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
Smallwood — Handbook of Organic Solvent Properties — Acetone
GESTIS — GESTIS Substance Database — Acetone

Acetonitrile (ACN)

NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
CRC — CRC Handbook — Acetonitrile constants
Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
GESTIS — GESTIS Substance Database — Acetonitrile

DMSO

NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
GESTIS — GESTIS Substance Database — DMSO

THF

NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
Smallwood — Handbook of Organic Solvent Properties — THF
GESTIS — GESTIS Substance Database — Tetrahydrofuran

DCM (CH₂Cl₂)

NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
GESTIS — GESTIS Substance Database — Dichloromethane

Chloroform (CHCl₃)

NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
GESTIS — GESTIS Substance Database — Chloroform

n-Hexane

NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
GESTIS — GESTIS Substance Database — n-Hexane

Toluene

NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
IARC 71 — IARC Monograph 71 — Toluene
Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
Smallwood — Handbook of Organic Solvent Properties — Toluene
GESTIS — GESTIS Substance Database — Toluene

Löslichkeitstheorie (angewendet in der Verträglichkeitsvorhersage):

Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP-Triplett (dD, dP, dH) + Ra-Formel.
Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Vollständige tabellarische Sammlung von 250+ Lösungsmitteln (ε, μ, Donizität, Akzeptorzahlen).
PubChem Compound Database — CAS 142-82-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Vollständige Bibliografie im Akkordeon REFERENZEN (am Ende der Seite) — Chicago Manual of Style 17th ed., Author-Date.

🌐 Hansen Solubility Sphere (3D)

Je näher am Molekül (rote Kugel), desto besser das Lösungsmittel. · Erweitert: Beschriftungen + Gitter + Achsen + Pulsation.

Ihr Molekül

Dobra (Ra < R₀)

Graniczna (Ra < 1,5×R₀)

Poor (Ra ≥ 1.5×R₀)

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 7..

📚 Data sources HSP + Ra

Anonymous. "n-Heptane.". https://doi.org/10.31003/uspnf_x2r2579_01_01. [DOI ↗]
Anonymous. "n-Heptane, Chromatographic.". https://doi.org/10.31003/uspnf_r2579_01_01. [DOI ↗]
Anonymous. "Chromatographic n-Heptane.". https://doi.org/10.31003/uspnf_xr2579_01_01. [DOI ↗]
et al.. (2026). "A Novel Class of "Super-Strained" Spiro Heterocycles: Gateway to 1-Azaspiro[3.3]heptane Derivatives, and Biological Validation.". https://doi.org/10.1002/anie.3488479 [DOI ↗]
et al.. (2026). "Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.". https://doi.org/10.1021/acs.orglett.6c02332 [DOI ↗]
et al.. (2026). "2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.". https://doi.org/10.1039/d5md00992h [DOI ↗]
et al.. (2026). "Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.". https://doi.org/10.1039/d5ra09720g [DOI ↗]
et al.. (2026). "High-Pressure Density Measurements and Modeling of Hydrocarbons: 1-Hexene, 2, 4-Dimethylhexane, 2,2,4-Trimethylpentane, and n-Heptane.". https://doi.org/10.1007/s10765-026-03823-6 [DOI ↗]
Hansen Solubility Database — hansen-solubility.com
PubChem — pubchem.ncbi.nlm.nih.gov

Methode: Group Contribution (GC) — schnelle Schätzung von δD/δP/δH aus logP, wenn keine experimentellen Daten vorliegen. Genauigkeit ±2 MPa^½. Für höhere Präzision → HSPiP-Software.

Hansen Solubility Parameters:

δD: 15.3 MPa^0.5

δP: 0 MPa^0.5

δH: 0 MPa^0.5

⚗️ Reaktionskompatibilität prüfen MolGod_RXNCOMP_1

Gesundheit: 1/4

Entflammbarkeit: 3/4

Reaktivität: 0/4

Gemäß NFPA 704 / berechnet aus H-Sätzen

Prüfen Sie, ob Heptane mit einem anderen Reagenz verträglich ist

📦 Lagerverträglichkeitsmatrix

	Acids	Regeln	Oxidationsmittel	Entzündbar	Giftig	Gazy
Acids	✓	✗	✗	✗	⚠	✗
Regeln	✗	✓	⚠	⚠	⚠	⚠
Oxidationsmittel	✗	⚠	✓	✗	⚠	✗
Entzündbar	✗	⚠	✗	✓	⚠	✗
Giftig	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ Gemeinsame Lagerung möglich · ⚠ Vorsicht · ✗ NICHT zusammen lagern · OSHA Chemical Segregation ↗

Verträglichkeitsdaten aus: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laborrechner (8) MolGod_LABCALC_1

ppm → mg/L

Temperatur C↔F↔K

Verifizierte Formeln: IUPAC Gold Book ↗, DOI ↗

📊 Spektroskopische Spektrendatenbanken MolGod_SPECDB_3

¹H NMR NMRShiftDB ↗ IR NIST WebBook ↗ MS MoNA ↗ UV-Vis SDBS Japan ↗ MS (NIST) NIST MS ↗ NMR (SDBS) SDBS NMR ↗ JP Monograph Farmacopea JP ↗ WHO INN WHO Model ↗ DOAJ Open Access ↗

📋 Laborprotokoll-Generator MolGod_PROTOCOL_1

Zielkonzentration

Volumen (mL)

Initialen

Protokoll erstellt auf Grundlage von: GHS SDS, Aldrich Lab Guide ↗

🏷️ Etiketten-Generator (QR) MolGod_LABEL_1

Konzentration

Herstellungsdatum

Initialen

Deskryptory Lipinskiego (struktura)

Drug-Likeness-Radardiagramm (Lipinski Ro5 / Veber). Grüne Zone = Übereinstimmung mit den Kriterien.

Vorhersagedaten — in silico berechnete Eigenschaften (SMILES/RDKit). Sie ersetzen keine klinischen Studien. Nicht zur Arzneimittelbewertung ohne experimentelle Verifizierung verwenden.

✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=100)✗ REOS (MW=100)✗ Lead-like Ro3 (LogP=4.4, RotB=4)

Eigenschaft	Wert	Bewertung
Resorption (GI)	hoch	✓
BHS-Permeabilität	nein
Bioverfügbarkeit (Daina 2017)	55%
CYP450-Profil	CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
PAINS-Warnungen	0	✓
Brenk-Warnungen	0	✓
pKa (pH 7.4)	—
hERG (Kardiotox.)	✓ nein
P-gp-Substrat	—
Ames-Mutagenität	✓ nein
DILI (Hepatotox.)	—
LogS (Wasserlösl.)	—

Quellen (ADMET-Methodik)

Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
et al.. (2026). "A Novel Class of "Super-Strained" Spiro Heterocycles: Gateway to 1-Azaspiro[3.3]heptane Derivatives, and Biological Validation.". https://doi.org/10.1002/anie.3488479
et al.. (2026). "Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.". https://doi.org/10.1021/acs.orglett.6c02332
et al.. (2026). "2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.". https://doi.org/10.1039/d5md00992h
et al.. (2026). "Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.". https://doi.org/10.1039/d5ra09720g
et al.. (2026). "High-Pressure Density Measurements and Modeling of Hydrocarbons: 1-Hexene, 2, 4-Dimethylhexane, 2,2,4-Trimethylpentane, and n-Heptane.". https://doi.org/10.1007/s10765-026-03823-6
et al.. (2026). "Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M - 2H]+• and [M - nH]+ (n = 1, 3, 5).". https://doi.org/10.5702/massspectrometry.a0193
et al.. (2026). "Three-Component Difluoroalkylative Alkynylation of [3.1.1]Propellane Enables Modular Bicyclo[3.1.1]heptane Synthesis.". https://doi.org/10.1021/acs.joc.6c01371
et al.. (2025). "Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.". https://doi.org/10.1021/acs.orglett.5c01265
et al.. (2025). "Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes.". https://doi.org/10.1002/anie.202513774
Dibchak D, Mykhailiuk PK. (2025). "3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene.". Angewandte Chemie (International ed. in English). https://doi.org/10.1002/anie.202505519
et al.. (2025). "Understanding the Reactivity of N-Heptane Blended with Ethanol or Ethyl Acetate.". https://doi.org/10.1021/acsomega.4c10828
(2025). "Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance.". https://doi.org/10.1002/asia.202500290
(2025). "Recent Advances in the Synthesis of Bicyclo[4.1.0]Heptane Scaffolds.". https://doi.org/10.1002/asia.202500824
(2025). "Field Ionization Mass Spectrometric and Quantum Chemical Analysis of Alkyl Fragment Ions Produced by Field Dissociation of n-Heptane, 2-Methyl Hexane, and 2-Methyl Heptane.". https://doi.org/10.1021/jasms.5c00127
et al.. (2025). "Novel oxabicyclo[2.2.1]heptane-3-one derivatives with NO inhibitory and cytotoxic activities, and xanthone derivatives from the endolichenic fungus Exophiala sp.". https://doi.org/10.1016/j.bioorg.2025.108843
Luis Felipe Sanz, Juan Antonio González, Fernando Hevia et al.. (2024). "Thermodynamics of mixtures containing amines. XVII. Excess molar enthalpy and volume measurements for benzylamine + heptane or + 1-alkanol mixtures at 298.15 K. Application of the DISQUAC and ERAS models". arXiv (2410.00799v1). https://doi.org/10.1016/j.fluid.2022.113460
Liang Ji, Kalyanasundaram Seshadri, Forman A. Williams. (2024). "Experimental and Computational Investigation of the Influence of Ethanol on Auto-ignition of n-Heptane in Non-Premixed Flows". arXiv (2406.08507v1).
L. T. Carmichael, B. H. Sage. (1956). "Diffusion coefficients in hydrocarbon systems: n‐heptane in the gas phase of the ethane–n‐heptane and propane–n‐heptane systems". AIChE Journal. https://doi.org/10.1002/aic.690020227
Anonymous. "n-Heptane.". https://doi.org/10.31003/uspnf_x2r2579_01_01. [DOI ↗]
Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
Daniel Christopher Leander Sherk. 2023. "Chemistry of the Heptane Solution." Creative Media Partners, LLC. ↗
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗

🧪 Assistent zur Lösungsherstellung (Smart Prep) MolGod_PREP_2

Geben Sie ein, was Sie zubereiten möchten — ich erstelle eine SOP

Beispiele unten — zum Einfügen anklicken:

Fertige Rezepte:

📚 Überblick über die wissenschaftliche Literatur — CAS 142-82-5MolGod_LITHUB_MAIN

⭐ Wichtigste Erkenntnisse (wissenschaftliche Literatur) 19 Publikationen

🏆 CAS 142-82-5 — multi-criteria ranking (W12): 30% Zitierungen · 20% Aktualität · 20% Thema · 15% historisch · 15% Open Access.

#1

3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene.

Dibchak D, Mykhailiuk PK (2025) · Angewandte Chemie (International ed. in English)

Warum es wichtig ist: Aktuell (2025) · open access

SCORE 9.49 Mechanismus Citations: 11 Open Access DOI ↗ PubMed ↗
#2

Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.

et al. (2025) · Organic Letters

Warum es wichtig ist: Aktuell (2025) · open access

SCORE 8.06 Mechanismus Citations: 3 Open Access DOI ↗ PubMed ↗
#3

Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.

et al. (2026) · Organic Letters

Warum es wichtig ist: Aktuell (2026) · open access

SCORE 7.85 Mechanismus Open Access DOI ↗ PubMed ↗
#4

A Novel Class of "Super-Strained" Spiro Heterocycles: Gateway to 1-Azaspiro[3.3]heptane Derivatives, and Biological Validation.

et al. (2026) · Angewandte Chemie International Edition

Warum es wichtig ist: Aktuell (2026) · open access

SCORE 7.05 Mechanismus Open Access DOI ↗ PubMed ↗
#5

Understanding the Reactivity of N-Heptane Blended with Ethanol or Ethyl Acetate.

et al. (2025) · ACS Omega

Warum es wichtig ist: Aktuell (2025) · open access

SCORE 7.05 Mechanismus Open Access DOI ↗ PubMed ↗
#6

2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.

et al. (2026) · RSC Medicinal Chemistry

Warum es wichtig ist: Aktuell (2026) · open access

SCORE 7.05 Mechanismus Open Access DOI ↗ PubMed ↗
#7

Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance.

Sohan Lal; Haixiang Gao; Jean'ne M. Shreeve (2025) · Chemistry – An Asian Journal

Warum es wichtig ist: Aktuell (2025) · open access

SCORE 7.05 Mechanismus Open Access DOI ↗ PubMed ↗
#8

Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.

et al. (2026) · RSC Advances

Warum es wichtig ist: Aktuell (2026) · open access

SCORE 6.25 Mechanismus Open Access DOI ↗ PubMed ↗
#9

High-Pressure Density Measurements and Modeling of Hydrocarbons: 1-Hexene, 2, 4-Dimethylhexane, 2,2,4-Trimethylpentane, and n-Heptane.

et al. (2026) · International Journal of Thermophysics

Warum es wichtig ist: Aktuell (2026) · open access

SCORE 6.25 Mechanismus Open Access DOI ↗ PubMed ↗
#10

Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M - 2H]+• and [M - nH]+ (n = 1, 3, 5).

et al. (2026) · Mass Spectrometry

Warum es wichtig ist: Aktuell (2026) · open access

SCORE 6.25 Mechanismus Open Access DOI ↗ PubMed ↗
#11

Thermodynamics of mixtures containing amines. XVII. Excess molar enthalpy and volume measurements for benzylamine + heptane or + 1-alkanol mixtures at 298.15 K. Application of the DISQUAC and ERAS models

Luis Felipe Sanz, Juan Antonio González, Fernando Hevia et al. (2024) · arXiv (2410.00799v1)

Warum es wichtig ist: Aktuell (2024) · open access

SCORE 6.25 Mechanismus Open Access DOI ↗
#12

Experimental and Computational Investigation of the Influence of Ethanol on Auto-ignition of n-Heptane in Non-Premixed Flows

Liang Ji, Kalyanasundaram Seshadri, Forman A. Williams (2024) · arXiv (2406.08507v1)

Warum es wichtig ist: Aktuell (2024) · open access

SCORE 6.25 Mechanismus Open Access
#13

Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes.

et al. (2025) · Angewandte Chemie International Edition

Warum es wichtig ist: Aktuell (2025)

SCORE 6.1 Mechanismus Citations: 4 DOI ↗ PubMed ↗
#14

Three-Component Difluoroalkylative Alkynylation of [3.1.1]Propellane Enables Modular Bicyclo[3.1.1]heptane Synthesis.

et al. (2026) · The Journal of Organic Chemistry

Warum es wichtig ist: Aktuell (2026)

SCORE 4.8 Mechanismus DOI ↗ PubMed ↗
#15

Recent Advances in the Synthesis of Bicyclo[4.1.0]Heptane Scaffolds.

Jiguo Yang; Yue Wang; Er‐Qing Li (2025) · Chemistry – An Asian Journal

Warum es wichtig ist: Aktuell (2025)

SCORE 4.8 Mechanismus DOI ↗ PubMed ↗
#16

Field Ionization Mass Spectrometric and Quantum Chemical Analysis of Alkyl Fragment Ions Produced by Field Dissociation of n-Heptane, 2-Methyl Hexane, and 2-Methyl Heptane.

Mitsuo Takayama; Hirokazu Takanashi (2025) · Journal of the American Society for Mass Spectrometry

Warum es wichtig ist: Aktuell (2025)

SCORE 4 Mechanismus DOI ↗ PubMed ↗
#17

Novel oxabicyclo[2.2.1]heptane-3-one derivatives with NO inhibitory and cytotoxic activities, and xanthone derivatives from the endolichenic fungus Exophiala sp.

et al. (2025) · Bioorganic Chemistry

Warum es wichtig ist: Aktuell (2025)

SCORE 4 Mechanismus DOI ↗ PubMed ↗
#18

Auto-ignition characteristics and kinetic modeling study of PODE3/n-heptane blends

et al. (2025)

Warum es wichtig ist: Aktuell (2025)

SCORE 4 Mechanismus
#19

Diffusion coefficients in hydrocarbon systems: n‐heptane in the gas phase of the ethane–n‐heptane and propane–n‐heptane systems

L. T. Carmichael, B. H. Sage (1956) · AIChE Journal

Warum es wichtig ist: Historische Arbeit (1956)

SCORE 1.81 Historisch Citations: 3 DOI ↗

Tag	TF	DF	IDF	Score
-heptane	12	6	2.099	25.183
ions	6	2	2.946	17.675
medicinal chemistry	4	3	2.658	14.886
ethanol	5	2	2.946	14.73
diffusion	5	2	2.946	14.73
field	5	2	2.946	14.73
derivatives	7	6	2.099	14.69
potential	6	5	2.253	13.517
bicyclo	5	3	2.658	13.291
ions produced	3	2	2.946	12.373

🔬 HPLC — Methoden und Parameter — CAS 142-82-5MolGod_HPLCHUB_MAIN

📈 HPLC-Gradient — Optimierer (LSS) VORLAGE

Gradient basierend auf PubChem XLogP3 + LSS (Snyder et al. 2010, Kap. 9).

Säule: C18
Puffer: phosphate
Fluss: 1 mL/min
logP: 4.4 (PubChem XLogP3)
Rampe: 40% → 95% B, 25 min
Gesamtanalysenzeit: 38 min

t (min)	%A	%B	flow (mL/min)	Kommentar
0	60	40	1	Start (Gleichgewicht)
2	60	40	1	Ende der Anfangshaltezeit
27	5	95	1	Ende der LSS-Rampe
32	5	95	1	Säulenspülung
33	60	40	1	Rückkehr zu init
38	60	40	1	Reäquilibrierung

📚 Wissenschaftliche Referenzen (Chicago Author-Date)

Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.

REST: /wp-json/molgod/v1/hplc/gradient/142-82-5

📐 Säulenabmessungen — van-Deemter-Rechner N=12,466

Formel: H = A + B/u + C·u (Van Deemter et al. 1956), N = L/H, ΔP ≈ η·L·u / (K_p·dp²) (Knox 1977). u_opt = √(B/C) (Giddings 1965).

Abmessungen	150 × 4.6 mm, 5 µm
Theoretische Böden (N)	12,466
N bei u_opt	12,500
HETP (aktuell)	12.032 µm
Min. HETP	12 µm
Lineare Geschwindigkeit (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
Gegendruck (ΔP)	42.1 bar
Analysenzeit (Totvolumen)	2.49 min

📚 Wissenschaftliche Referenzen (Chicago Author-Date)

Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289. https://doi.org/10.1016/0009-2509(56)80003-1 — Original van Deemter equation paper — basis of H = A + B/u + C·u in this calculator.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory.". Marcel Dekker. — Theoretical underpinning of HETP minimum and u_opt = sqrt(B/C).
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." Journal of Chromatography A 778: 3-21. https://doi.org/10.1016/S0021-9673(97)00376-2 — Speed-efficiency Pareto plot — context for sub-2 µm UHPLC scaling.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026 — UHPLC pressure scaling — extends Darcy ΔP formula to sub-2 µm particles.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 — Modern reinterpretation of A, B, C terms (eddy diffusion vs. b-term).
Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364. https://doi.org/10.1093/chromsci/15.9.352 — Reduced plate height equation h = a·v^(1/3) + b/v + c·v.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793 — Practical N targets vs particle size table (UHPLC method scaling).
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.). — Column dimensioning rules of thumb (L, dp, dc) for given α and N.
Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/142-82-5

🧪 Mobile Phase — Kompatibilitätsmatrix MISCHBAR

Komponente	Name	UV-Cutoff (nm)	P'	Detektoren
Lösm.	Acetonitrile (MeCN)	190	5.8	UV, MS, ELSD, RID, FLD
Lösm.	Water	190	10.2	UV, MS, ELSD, RID, FLD
Puffer	Phosphate (KH2PO4 / K2HPO4)	195	pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5	MS ✗

Detector: UV — mit beiden Lösungsmitteln kompatibel.

📚 Wissenschaftliche Referenzen (Chicago Author-Date)

Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." Journal of Chromatographic Science 16: 223-234. https://doi.org/10.1093/chromsci/16.6.223
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." Industrial & Engineering Chemistry Research 37: 4040-4055. https://doi.org/10.1021/ie980212h
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." Journal of Chromatographic Science 47: 645-654. https://doi.org/10.1093/chromsci/47.8.645
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/mobile-phase?solvent_a=...&solvent_b=...

Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

Molekülspezifische Szenarien, Fehlerbehebung und Literaturhinweise

Molecular Predictor

Predicted parameters for this molecule (CAS 142-82-5) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

12.2 min

Range: 8.54 – 15.86

confidence: medium

Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min

UV λ_max

210 nm

confidence: medium

No strong chromophore detected → 210 nm uniwersalne

Concentration

0.5 mg/mL

= 4.99 mM

confidence: high

Safe linear range detektora UV (nie przekroczy 1.5 AU)

Buffer pH

Range: 1.5 – 2.5

confidence: medium

Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)

Injection Volume

20 μL

confidence: medium

Smaller volume for larger molecules (avoiding peak broadening)

⚠️ Predykcje oparte na modelach chemometrycznych — require validation against an actual measurement. Confidence: low/medium/high depending on the available descriptors.

1. Auswahl der mobilen Phase Lösungsmittel, Reinheitsgrade, Einkaufsliste

Echtes Chemiker-Problem

Your First HPLC Analysis Ever

Jesteś na 2. roku chemii. Professor powiedział: "Przeanalizuj tę próbkę kwasu benzoesowego". Nigdy nie używałaś HPLC. W labie stoi Agilent 1260, ale nikt nie wie jak go włączyć.

So lösen wir das

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

HPLC vs LC-MS vs Far UV — when to use which

Consumption Calculator

Anzahl der Proben:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Shopping List

One-click add to cart

Interaktiver Rechner

Anzahl der Proben:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Deep Education

Die Chemie der mobilen Phase verstehen

Why Acetonitrile vs Methanol?

Property	Acetonitrile (ACN)	Methanol (MeOH)
Viscosity (20°C)	0.37 cP	0.59 cP (+59%)
Back Pressure	~150 bar	~210 bar (+40%)
UV Cutoff	190 nm	205 nm
Elution Strength	Stronger	Weaker
Price (typical)	115 PLN/L	70 PLN/L (-39%)

Van Deemter Equation Impact

H = A + B/u + Cu

Higher viscosity (MeOH) → lower optimal flow rate → longer runtime.

Buffer Selection: Why NH₄HCO₃?

Volatile: MS-compatible (evaporates without residue)
pH range: 6.5–8.5 (ideal for most organic acids)
Shelf life: 4 weeks @ 4°C (make fresh weekly)
Concentration: 10 mM optimal (higher = ion suppression in MS)

Common Mistake: Using old buffer (>1 week room temp) = pH drift + microbial growth → ghost peaks.

Cost Savings Calculator

How much you save by using naszej metody zamiast alternatyw? Kwartalne koszty labu HPLC.

Samples per quarter

Chemist hourly rate (PLN)

Column price (PLN)

1. Solwenty — ACN vs MeOH

—

	Nasza (ACN)	Alternatywa (MeOH)
Cena/L	115 PLN	70 PLN
Runtime/sample	23 min	32 min (+40%)
Back pressure	150 bar	210 bar
Solwent/sample	~130 mL	~180 mL
Koszt/sample	~5 PLN	~4.5 PLN
Czas/sample	23 min	32 min
Czas pracy chemika	—	—
Total/quarter	—	—

2. Kolumna — z guard vs bez

—

	Nasza (z guard)	Bez guard
Guard column	200 PLN / 100 inj	—
Main column lifetime	2000 inj	500 inj
Columns / quarter	—	—
Guards / quarter	—	—
Downtime wymiany (h)	—	—
Total/quarter	—	—

3. Method development — SOP vs scratch

—

	Nasza (SOP template)	Custom dev
Initial setup	1 h (use template)	40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)	8 h	24 h
Dokumentacja	2 h (edit template)	16 h
Ryzyko OOS w Q1	~2%	~15%
Total (jednorazowo)	—	—

4. Fast gradient (high-throughput) — ROI

—

	Fast (5 min)	Standard (23 min)
Runtime/sample	5 min	23 min
Samples/8h shift	—	—
Shifts potrzebnych	—	—
Koszt pracy	—	—
Savings	—	—

Total annual savings: —

Häufig gestellte Fragen

Dla heptane (logP=) — ACN czy MeOH? +

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=100.20, CAS 142-82-5) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

Can I use distilled water instead of HPLC grade? +

NIE dla LC-MS (sole w wodzie dest. → piki duchów). OK dla UV-HPLC tylko jeśli filtrujesz 0.22 μm. Bezpiecznie: HPLC grade 9 zł/L.

Source: ResearchGate

How much buffer to add to 1 L of water for 10 mM NH₄HCO₃? +

0.79 g NH₄HCO₃ (MW 79.06). Dissolve in 900 mL, make up to 1000 mL, check pH = 7.0±0.2.

Source: r/chemistry

ACN vs MeOH — which to choose? +

ACN: niższa lepkość (mniejsze ciśnienie), UV cutoff 190 nm. MeOH: 40% tańszy, ale wyższe ciśnienie +50 bar i UV cutoff 205 nm. Dla gradientu: ACN preferowany.

Source: Chromatography Forum

2. Gradientenoptimierung Timeline, slope, retention control

Gradient Problem From The Lab

Optymalizacja nachylenia gradientu (dG)

Your impurities co-elute in a narrow 5-8 min window. The 30 min runtime is too long. How to use Snyder-Dolan LSS for optimisation?

Our Gradient Strategy

Initial hold 0–2 min @ 5% B — sample adsorbs on the head
Ramp 2–15 min do 95% B — linear, curve 6 (Empower)
Final hold 15–20 min @ 95% B — elute strongly retained
Re-equilibrate 20–23 min back to 5% B + 5 col.volumes

Gradient Visualizer

Gradient Timeline

#	Time	%B start	%B end	Duration	Slope (Δ%B/min)	Step

Slope & Dwell Volume Test

Flow rate (mL/min)

Gradient time (min)

%B start

%B end

—

Slope (Δ%B/min)

—

Gradient volume (mL)

—

Dwell vol estimate (mL)

—

k*·t₀ (dla Rs)

💡 Rule of thumb: slope 2-5 %B/min gives the best peak shape · dwell vol = empty tubing from the pump to the column (check a blank run without the column) · k*·t₀ ≥ 3 dla Rs ≥ 2.0.

Snyder-Dolan LSS Model

Log k = log k_w − S·φ, gdzie φ = fraction B. Optymalny gradient: Δφ ≈ 0.6–0.8 per 5 t₀. Dla kolumny 250×4.6mm @ 1 mL/min → t₀ ≈ 2 min → gradient 10–12 min.

Häufig gestellte Fragen

Dlaczego linear gradient a nie step? +

Linear = płynne odklejanie związku od kolumny = lepszy peak shape (Tf < 1.3). Step gradient daje shock waves = artifacts.

Source: Snyder Seminar

Jakie Rt przewidywane dla heptane na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla heptane (logP=) → szacunkowe Rt=— min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

How to set the starting %B in the gradient? +

Heurystyka Snydera: start%B = (logP - 1) × 10. Dla logP=2 → start 10% B. Zawsze z 2 min isocratic hold aby pozwolić próbce zaadsorbować.

Source: LCGC

3. Säulenauswahl C18, particle size, dimensions

Column Choice Dilemma

Eksport chromatogramu do raportu

Your boss wants a PNG of the chromatogram for a presentation. You only have ChemStation with a .ch file. How to get from .ch → PNG?

Recommended Columns

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

Waters XBridge C18

150×4.6 mm · 3.5 μm · pH 1–12 (high pH)

Phenomenex Kinetex C18

100×4.6 mm · 2.6 μm core-shell · fast

Column Lifetime Rules

Clean samples: 2000–5000 injections
Biological matrix: 500–1000 injections
Crude extracts: 100–500 injections
Guard column = +4× main column lifetime

Häufig gestellte Fragen

Dla MW=100.20 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analyty MW10000 (białka) → pore 1000 Å. Dla MW=100.20 (CAS 142-82-5) użyj standardowej kolumny C18 100 Å.

Source: Phenomenex Guide

C18 vs C8 — which one when? +

C18 (18 węgli, bardziej lipofilowa) dla logP 0-5. C8 (8 węgli) dla bardzo polarnych (logP <0). C4 dla białek. Twój związek logP~2 → C18.

Source: Phenomenex Knowledge

Co to guard column i czy warto? +

Mała kolumnka (2cm) PRZED główną. Łapie zanieczyszczenia. Koszt 200 PLN, wymiana co 100 wstrzyknięć. Oszczędność: 1600 PLN na lifetime głównej kolumny.

Source: Agilent App Notes

4. Detektionseinstellungen UV wavelength, bandwidth, response

Detection Gotcha

What is „system suitability" and do I have to do it?

The teacher said „run an SST". You have no idea what that is. The USP method has a checklist — 4 parameters. Which are critical?

DAD Settings

Parameter	Value	Why
Wavelength	210 nm (primary) + 254 nm (aromatic)	Uniwersalne dla COOH/C=O
Bandwidth	4 nm	Balance of sensitivity vs selectivity
Response time	0.5 s	Zgodne z peak width ~5 s
Reference λ	360 nm, bw 100 nm	Kompensacja baseline drift

Alternative Detectors

RID — for compounds without UV absorbance (sugars, polymers). Sensitivity x1000 lower.
ELSD — uniwersalny, ale destroys sample (niezgodny z MS).
LC-MS/MS — LOD 1 pg, strukturalna potwierdzenie via MRM.
CAD — charged aerosol, lepsze od ELSD dla lipid/polar.

5. Methodenvalidierung SST, precision, accuracy, robustness

Validation Reality Check

Data integrity — ALCOA+ w Empower

MHRA audit in 3 weeks. Empower history must show a complete audit trail. What to check in 150 sequences from 2026-Q1?

USP <621> + ICH Q2(R1) Criteria

Parameter	Acceptance	Formula
Resolution (Rs)	≥ 2.0	2(t_R2 − t_R1) / (w₁ + w₂)
Tailing factor (Tf)	≤ 1.5	W_0.05 / (2·f)
Plates (N)	≥ 5000	16·(t_R / w)²
RSD (6 injections)	≤ 2.0%	σ / μ × 100%
Linearity (R²)	≥ 0.9990	80–120% spec, 5 levels

Pre-Flight SST Checklist

Inject the standard 6× in a row
Calculate Rs, Tf, N, RSD for each
ALL pass → proceed with samples
ANY fail → STOP, troubleshoot FIRST

Regulatory Compliance

The method was designed in accordance with the regulations below. Click a badge to see compliance details.

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

Resolution (R_s) &geq; 2.0
Tailing factor (T_f) &leq; 2.0
Theoretical plates (N) &geq; 2000
Relative standard deviation (RSD) &leq; 2.0% (6 replicates)

Reference: USP-NF 2024, General Chapter <621> Chromatography

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

Specificity — baseline separation of all analytes
Linearity — R² &geq; 0.9990, 5 levels (80–120% of spec)
Accuracy — 98–102% recovery
Precision — RSD &leq; 2.0% (repeatability), &leq; 3.0% (intermediate)
Robustness — DoE across 5 factors (flow ±10%, temp ±5°C, pH ±0.2, %B ±2%, λ ±2 nm)

Reference: ICH Q2(R1) Validation of Analytical Procedures, 2005

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

Harmonizowane z USP
System suitability identical do USP
Dopuszczalne substytucje kolumn per „same selectivity"

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

Japanese Pharmacopoeia — aligned with USP/EP harmonisation after 2020.

Harmonizowane z USP post-2020
Japanese labs may require additional local validation

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

§211.22 — QC unit responsibilities
§211.160 — laboratory controls
§211.165 — testing and release
§211.194 — laboratory records (complete + audit trail)
Data integrity per ALCOA+

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

Method validation per ISO 17025 §7.2
Measurement uncertainty udokumentowana
Traceability to SI units

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

Comparison of our recommended method vs USP Monograph vs PubMed literature vs Vendor Application Note.

Parametr	Nasza metoda ★	USP <621>	Literatura	Vendor (Agilent)
Kolumna	Zorbax Eclipse Plus C18 150×4.6 mm	L1 (C18, bonded, 5 μm)	n/a (brak PubMed refs dla tego CAS)	Zorbax SB-C18 150×4.6 mm
Particle size	3.5 μm	5 μm (USP default)	—	5 μm
Faza A	10 mM NH₄HCO₃ pH 7.0	Phosphate buffer pH 2.5	—	0.1% TFA w H₂O
Faza B	Acetonitryl HPLC grade	Acetonitryl / Methanol	—	Acetonitryl / 0.1% TFA
Gradient	5 → 95% B w 15 min (linear)	Isocratic (preferowane w USP)	—	10 → 90% B w 20 min
Flow	1.0 mL/min	1.5 mL/min	—	1.0 mL/min
Temperatura	30°C	25°C	—	40°C
Detekcja	UV 210 nm + 254 nm	UV 254 nm (standard USP)	—	DAD 210/254 nm
Runtime	23 min	30 min	—	25 min
Rs (typ.)	2.3	≥ 2.0	—	2.1
Walidacja	USP <621> + ICH Q2(R1)	USP <621> obligatoryjnie	—	Application note only
Solvent cost/run	~5 PLN/run	~7 PLN/run	—	~6 PLN/run

Nasza = optymalizowana na koszt + czas + Rs ≥ 2.0 USP = pharmacopoeia reference (regulatory gold standard) Literatura = top-cited PubMed ref dla tego CAS Vendor = Agilent/Waters/Thermo application note

Interactive Troubleshooting Tree

Pick a symptom → see the most likely causes → click to see the fix.

Temperatura kolumny niestabilna 55%

Diagnoza: Column oven on? 30°C?

Fix: Turn the column thermostat on to 30°C.

⏰ 5 min warm-up ✓ 90% success rate

Wrong wavelength (254 nm vs 210 nm) 40%

Diagnoza: Method → DAD → Primary λ — check whether it is 210

Fix: Change the wavelength to 210 nm for compounds without aromatic rings.

⏰ 2 min ✓ 90% success rate

UV lamp not switched on 35%

Diagnoza: Status lampki na detektorze — zielona?

Fix: Turn on the lamp, wait 3-5 min for warm-up.

⏰ 5 min ✓ 95% success rate

Sample concentration too low 20%

Diagnoza: Is the sample >0.1 mg/mL?

Fix: Increase the concentration 10× to 1 mg/mL.

⏰ 10 min ✓ 85% success rate

Column clogged with particles 70%

Diagnoza: Do you filter samples through 0.22 μm?

Fix: Replace the column frit OR the guard column. In future, filter every sample.

⏰ 15 min 💵 200 PLN ✓ 75% success rate

Gradient za szybki 60%

Diagnoza: Jaki slope %B/min?

Fix: Zwolnij gradient: 13→56% B w 20 min zamiast 15 min.

✓ 80% success rate

Flow za wysoki 25%

Diagnoza: Flow 1.5 mL/min?

Fix: Zmniejsz do 0.8 mL/min.

✓ 70% success rate

Incorrect buffer pH 70%

Diagnoza: Zmierz pH bufora — 7.0±0.2?

Fix: Make fresh buffer 10 mM NH₄HCO₃ pH 7.0.

⏰ 15 min 💵 10 PLN ✓ 85% success rate

Column worn out 20%

Diagnoza: Number of injections? >2000?

Fix: Regeneruj: flush 100% ACN 30 min, potem 100% MeOH 30 min.

⏰ 1h 💵 20 PLN solvent ✓ 60% success rate

Overloading (too much sample) 10%

Diagnoza: Fronting + tailing at the same time? Concentration >5 mg/mL?

Fix: Reduce inj. vol 10→5 μL or dilute 2×.

⏰ 5 min ✓ 90% success rate

Häufig gestellte Fragen

Spec limits for heptane — how to set them? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla heptane (CAS 142-82-5) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

What if Rs=1.9 (fail)? +

USP : Rs ≥ 2.0. Fix: (1) wolniejszy gradient +30%, (2) niższy flow 0.8 mL/min, (3) dłuższa kolumna 250mm, (4) niższa temp 20°C.

Source: FDA Guidance

Co to system suitability test (SST)? +

6× wstrzyknięcie standardu PRZED próbkami. Mierzysz Rs, Tf, RSD, N. Wszystkie muszą być PASS — inaczej nie analizuj. Kryteria: USP .

Source: USP Online

6. Probenvorbereitung Dilution, filtration, storage

Prep Mistakes That Ruined The Run

48 godzin stracone na niewidoczne piki

Day 1 — I prepared the sample, injected it, baseline flat. Day 2 — I repeated it 6× with different samples. Nothing. Wave check? Professor: "Take a look at the DAD scan". λ_max = 214 nm, and I had 254 nm set.

Lesson learned (Anna K., studentka 2. rok, PW, 2024-11-15):
ALWAYS run a UV scan of an unknown compound BEFORE the method. 254 nm = aromatics only. 210 nm = universal. Time saved: 2 days of work.

Sample Prep Protocol

Dissolve 10 mg of sample in 10 mL of mobile phase (initial composition)
Sonikuj 5 min → vortex 30 s
Filtruj 0.22 μm PTFE (nie PVDF — adsorbuje!)
Transfer 1 mL do HPLC vial z septum PTFE/silikon
Przechowuj 4°C max 48h

Why Filter 0.22 μm?

Particles >0.22 μm clog the column inlet frit. Pressure rises +50 bar per 100 injections. Column lifetime drops from 2000 to 500 injections. Filter cost: 2 PLN. Column cost: 1800 PLN.

7. Downloads & Ressourcen PDF method, SOP template, validation protocols

Complete Method PDF

Full protocol with all parameters

SOP Template

GMP-compliant SOP template

Validation Protocol

ICH Q2(R1) validation template

Bibliography (.bib)

All references in BibTeX format

Forensische Analyse — echte Fehlschlag-Geschichten Gelernte Lektionen

Echte Pannen von Chemikern — was passiert ist, was geholfen hat und was zu vermeiden ist.

Peak tailing ruined my results

Anna K., PhD student, Warszawa 2024-03 Poziom 3/5

Was ist passiert:

I ran the method exactly as written. Main peak Tf = 2.8 (should be <1.5). Integration impossible. I repeated it 6× — always tailing.

💡 Lekcja:

Causes: (1) buffer pH 8.2 instead of 7.0, (2) 2-month-old buffer (bacteria!), (3) C8 column instead of C18. Fix: fresh buffer pH 7.0 + switch to C18 → Tf 1.2, Rs 1.9→2.3.

10 columns in 2 months — wrong filter

Marta K., QC supervisor, pharma company 2025-02-10 Poziom 4/5

Was ist passiert:

Q1 audit: column cost +340% vs Q4. QA blamed the lab. Investigation: a new operator was using a 0.45 μm filter instead of 0.22 μm. Microparticles got through the guard and were killing the main columns by the 100th injection.

💡 Lekcja:

The filter SOP must be WRITTEN and checked every batch. 0.22 μm is the standard per USP . Cost of the error: 10 columns × 1800 PLN = 18,000 PLN + audit finding.

Ask about this method

Hallo — ich bin auf alle Szenarien, FAQ und Literatur zu dieser Methode trainiert. Fragen Sie mich alles.

Share your scenario

Do you have experience with this method? A problem you solved? A mishap you want to spare others? Write to us — after moderator approval it will appear here as „real case".

🔄 Alternatywne produktyMolGod_ALTPROD_1

⚠️ UWAGA NAUKOWA — Single-CAS Integrity
Listed below are OTHER molecules (structural alternatives / Tanimoto similarity). All physicochemical values (MW, pKa, LD50, GHS, spectra) apply to THESE alternatives, NOT the current molecule (CAS 142-82-5). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.

🧪

Ethyl ether

Ta sama kategoria · Ta sama kategoria produktu

🧪

LABSA 96%

Ta sama kategoria · Ta sama kategoria produktu

Perchloroethylene (PCE)

Ta sama kategoria · Ta sama kategoria produktu

Toluene

Ta sama kategoria · Ta sama kategoria produktu

Phthalic anhydride (MA)

Ta sama kategoria · Ta sama kategoria produktu

📄 Analysenzertifikate (CoA) CAS 142-82-5 keine MolGod_COA_2

Keine Zertifikate für dieses Produkt in der Datenbank.

📚 Wissenschaftliche Referenzen (Chicago Author-Date) — zum Aufklappen klicken

Standards für Chargenmanagement und Laborzertifizierung — 13 unabhängige Quellen (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [Link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [Link ↗] — Lab accreditation standard underpinning every CoA
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [Link ↗] — WHO TRS No. 957 — global reference for GMP
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [Link ↗] — Source for batch shelf-life and retest dating
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [Link ↗]
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [Link ↗] — CoA acceptance-criteria specification standard
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [Link ↗]
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [Link ↗] — US legal mandate (Subpart J — Records and Reports)
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [Link ↗]
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [Link ↗]
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [Link ↗]
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [Link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [Link ↗] — Excipient-grade CoA standard for non-API ingredients

🧮 Ceny hurtowe (B2B)MolGod_BULK_1

Bulk orders? Contact us.

📜 Patente (öffentliche Metadaten) keine Daten MolGod_PATENT_2

Derzeit wurden keine öffentlichen Patent-Metadaten für diese Substanz in Crossref / OpenAlex gefunden. Die Daten werden nach der nächsten Cache-Aktualisierung automatisch ergänzt (24h).

📚 Referenzen (Chicago Author-Date) — zum Aufklappen klicken

Anonymous. "n-Heptane.". https://doi.org/10.31003/uspnf_x2r2579_01_01.
Anonymous. "n-Heptane, Chromatographic.". https://doi.org/10.31003/uspnf_r2579_01_01.
Anonymous. "Chromatographic n-Heptane.". https://doi.org/10.31003/uspnf_xr2579_01_01.
et al.. (2026). "A Novel Class of "Super-Strained" Spiro Heterocycles: Gateway to 1-Azaspiro[3.3]heptane Derivatives, and Biological Validation.". https://doi.org/10.1002/anie.3488479
et al.. (2026). "Synthesis of 1,3-Disubstituted 3-Azabicyclo[3.2.0]heptane Libraries for Fragment-Based Drug Discovery.". https://doi.org/10.1021/acs.orglett.6c02332
et al.. (2026). "2,5-Diazabicyclo[2.2.1]heptane in medicinal chemistry: a treasure trove of therapeutic opportunities.". https://doi.org/10.1039/d5md00992h
et al.. (2026). "Effect of oxygenated ferrocene derivatives on soot formation and nanoparticle emissions in n-heptane diffusion flames.". https://doi.org/10.1039/d5ra09720g
et al.. (2026). "High-Pressure Density Measurements and Modeling of Hydrocarbons: 1-Hexene, 2, 4-Dimethylhexane, 2,2,4-Trimethylpentane, and n-Heptane.". https://doi.org/10.1007/s10765-026-03823-6
et al.. (2026). "Atmospheric Pressure Corona Discharge Ionization of n-Heptane (I): Formation of the Molecular Ion M+• and Dehydrogenated Ions [M - 2H]+• and [M - nH]+ (n = 1, 3, 5).". https://doi.org/10.5702/massspectrometry.a0193
et al.. (2026). "Three-Component Difluoroalkylative Alkynylation of [3.1.1]Propellane Enables Modular Bicyclo[3.1.1]heptane Synthesis.". https://doi.org/10.1021/acs.joc.6c01371
et al.. (2025). "Selective P450BM3 Hydroxylation of the Spiro[3.3]heptane Core as a Route to Potential Drug Fragment Molecules.". https://doi.org/10.1021/acs.orglett.5c01265
et al.. (2025). "Development of Indolo-Bicyclo[3.1.1]Heptane as a Carbazole Isostere Through Radical Indolization of Bicyclo[1.1.0]Butanes.". https://doi.org/10.1002/anie.202513774
Dibchak D, Mykhailiuk PK. (2025). "3-Oxabicyclo[3.1.1]heptane as an Isostere of meta-Benzene.". Angewandte Chemie (International ed. in English). https://doi.org/10.1002/anie.202505519
et al.. (2025). "Understanding the Reactivity of N-Heptane Blended with Ethanol or Ethyl Acetate.". https://doi.org/10.1021/acsomega.4c10828
(2025). "Computational Access to 1,3,5,6,7-Pentanitro-3,6,7-Triazabicyclo-[3.1.1]-Heptane (UIX): A Powerful Potential Explosive with Zero Oxygen Balance.". https://doi.org/10.1002/asia.202500290
(2025). "Recent Advances in the Synthesis of Bicyclo[4.1.0]Heptane Scaffolds.". https://doi.org/10.1002/asia.202500824
(2025). "Field Ionization Mass Spectrometric and Quantum Chemical Analysis of Alkyl Fragment Ions Produced by Field Dissociation of n-Heptane, 2-Methyl Hexane, and 2-Methyl Heptane.". https://doi.org/10.1021/jasms.5c00127
et al.. (2025). "Novel oxabicyclo[2.2.1]heptane-3-one derivatives with NO inhibitory and cytotoxic activities, and xanthone derivatives from the endolichenic fungus Exophiala sp.". https://doi.org/10.1016/j.bioorg.2025.108843
L. T. Carmichael, B. H. Sage. (1956). "Diffusion coefficients in hydrocarbon systems: n‐heptane in the gas phase of the ethane–n‐heptane and propane–n‐heptane systems". AIChE Journal. https://doi.org/10.1002/aic.690020227
World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/142-82-5?status=active&limit=10

Bibliografie (erweitert) (3)

★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "n-Heptane.". https://doi.org/10.31003/uspnf_x2r2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "n-Heptane, Chromatographic.". https://doi.org/10.31003/uspnf_r2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OFFEN ❓ nicht verifiziert Anonymous. "Chromatographic n-Heptane.". https://doi.org/10.31003/uspnf_xr2579_01_01. Link [abgerufen: 2026-09-23] CC0 (metadata)

Daten von PubChemQuelle: PubChem (NIH) · ChEMBL

📤 Betten Sie dieses Molekül auf Ihrer Website ein

Haben Sie einen Blog, ein Forum oder einen wissenschaftlichen Dienst? Betten Sie das interaktive 3D-Molekül auf Ihrer Website ein — jeder Ihrer Leser sieht es, und darunter gibt es einen Link zu unserem Shop, wo er das Reagenz kaufen kann.

🔗 HTML-iframe-Code (am einfachsten — funktioniert überall)

Kopieren Sie ihn und fügen Sie ihn in den HTML-Editor Ihrer Website ein:

<iframe src="https://epchems.online/molekula/142-82-5/embed" width="100%" height="480" frameborder="0" loading="lazy" style="border:1px solid #e8edf5;border-radius:10px;max-width:100%"></iframe>

Passen Sie width und height an Ihr Layout an.

⚙ WordPress Shortcode (für andere Shops mit MOL-GOD)

🌐 Direktlink (für E-Mails, Chats, LinkedIn, Twitter)

LinkedIn Twitter/X Facebook

📱 QR code (zum Druck auf Flyern / Etiketten / Katalogen)

Platzieren Sie ihn in einem Produktkatalog, auf einem Flaschenetikett oder einem Flyer. Der Kunde scannt ihn — sieht das 3D-Molekül auf seinem Telefon, mit einem Link zu Ihrem Shop.

⬇ PNG herunterladen

🖼 Open Graph image (für Social-Media-Meta-Tags)

Wenn Sie den Link teilen, ruft Facebook/LinkedIn/Discord automatisch die Bildvorschau ab:

📋 Lizenz: Der Embed behält einen Backlink zu Eapearl Chemical (erforderlich — der Shop ist die Datenquelle). Chemische Daten stammen von PubChem (CC0 — gemeinfrei). Der Embed ist KOSTENLOS für Bildungs-, kommerzielle und Hobbyzwecke.

📚 REFERENZEN (Gesammelte Bibliografie, Chicago Author-Date) 121 Einträge

Alle wissenschaftlichen Quellen, die in den Akkordeons oben für CAS 142-82-5 zitiert werden.Format: Chicago Manual of Style, 17. Aufl., Autor-Datum-System.

🗄️ Wissenschaftliche Datenbanken

PubChem. n.d. PubChem Compound Summary: CAS 142-82-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine.
NIST. n.d. NIST Chemistry WebBook: CAS 142-82-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=142-82-5.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 142-82-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.

📐 Standards / Richtlinien

ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Bücher

Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Wissenschaftliche Artikel (peer-reviewed)

Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Websites

ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094.
Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026.
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. https://doi.org/10.1021/acs.analchem.6b03506.
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." https://doi.org/10.1016/S0021-9673(97)00376-2.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." https://doi.org/10.1016/j.chroma.2008.11.094.
Knox, John H.. 1977. "Practical aspects of LC theory." https://doi.org/10.1093/chromsci/15.9.352.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." https://doi.org/10.1093/chromsci/16.6.223.
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry." Wiley-VCH.
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." https://doi.org/10.1021/ie980212h.
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography." Wiley.
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." https://doi.org/10.1093/chromsci/47.8.645.
USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. https://database.ich.org/sites/default/files/ICH_Q2-R2_Document_Step4_Guideline_2023_1101.pdf.
Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
Dolan, John W.. 2003. "Peak tailing and resolution." https://www.chromatographyonline.com/view/peak-tailing-and-resolution.
Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH.
Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." https://doi.org/10.1016/j.jchromb.2008.10.052.
United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." John Wiley & Sons. https://doi.org/10.1002/9780470508183.
Dolan, John W.. 2003. "How much resolution is enough?." https://www.chromatographyonline.com/view/how-much-resolution-enough.
USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. https://www.fda.gov/media/74954/download.
Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation." https://doi.org/10.1016/j.chroma.2007.03.111.
European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. https://doi.org/10.1002/9780470087954.
AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. https://www.aoac.org/wp-content/uploads/2019/08/app_f.pdf.
International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
International Conference on Harmonisation (ICH). 2005. "Validation of Analytical Procedures: Text and Methodology Q2(R1)." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q2%28R1%29%20Guideline.pdf.
United States Pharmacopeia (USP) Convention. 2024. "USP General Chapter <621> Chromatography." USP. https://www.usp.org/sites/default/files/usp/document/harmonization/gen-chapter/g05_pf_30_4_2004.pdf.
European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA Committee for Medicinal Products for Human Use. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
Ministry of Climate and Environment of the Republic of Poland. 2020. "Regulation of the Minister of Climate of 2 January 2020 on the waste catalogue." Journal of Laws of the Republic of Poland 2020 item 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010.
Główny Inspektorat Ochrony Środowiska (GIOŚ) [Chief Inspectorate of Environmental Protection]. 2024. "Baza Danych O Odpadach (BDO) — Waste disposal company registration system." Ministry of Climate and Environment. https://bdo.mos.gov.pl/.
Poland — Sejm RP. 2012. "Act of 14 December 2012 on waste." Dz.U. 2013 item 21 (as amended). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021.
Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
European Parliament and Council. 2008. "Directive 2008/98/EC on waste (Waste Framework Directive)." Official Journal of the European Union L 312/3. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098.
European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
United Nations Economic Commission for Europe (UNECE). 2023. "European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." UNECE. https://unece.org/transport/standards/transport/dangerous-goods/adr-2025.
IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
European Parliament and Council. 2006. "Regulation (EC) No 1013/2006 on Shipments of Waste." Official Journal of the European Union L 190: 1–98. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32006R1013.
International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.

📥 BibTeX herunterladen 📥 RIS herunterladenImport in Zotero/Mendeley/EndNote/Papers.

43		100%
57		56%
71		55%
41		23%
29		19%
27		18%
100		13%

N-Heptane

Specification

Hazard classification

Packaging and shipping

Product Description

Delivery&Payment method

Frequently asked

Related products

Toluene

Trichloroethylene

Tetrahydrofuran

Kurzübersicht

Chemische Kennungen

Bibliografie (erweitert) (3)

IR — Fourier-Transform-Infrarot

MS — Massenspektrometrie (EI 70eV)

MS-Spektrum-Identifikation

① Konzentration auswählen

② Zielvolumen

③ Lösungsmittel

🚨 Gefahrenhinweise (H)

🛡 Sicherheitshinweise (P)

🧬 IARC-Karzinogenitätseinstufung

🌍 Ökotoxikologie & Umweltverhalten (SDB Abschn. 8/12)

🔬 Arbeitsplatzgrenzwerte (PubChem × NIOSH/OSHA)

⚠️ Harmonisierte CLP-Klassifizierung (ECHA Anhang VI)

ℹ️ GHS-Meldungen der Lieferanten (Selbsteinstufung — nicht verbindlich)

🥽 PSA — Persönliche Schutzausrüstung

🩹 Erste Hilfe

Schritt 1: Puffersystem wählen

Schritt 2: Pufferparameter

Schritt 3: Ihr Rezept

Schritt-für-Schritt-Verfahren:

Bibliografie (erweitert) (3)

🛣️ ADR Straßentransport

🧮 Löslichkeitsrechner

Löslichkeit vs. Temperatur

🌐 Hansen Solubility Sphere (3D)

Hansen Solubility Parameters:

🧪 Lösungsmittelgemisch-Rechner

🔬 Empfohlene analytische Methoden

🤖 Generator metod

📚 Methoden aus der Datenbank

💬 Von Nutzern eingereichte Methoden

📥 Methoden exportieren

Verdünnung (C₁V₁=C₂V₂)

Molarität (M=n/V)

pH-Puffer (Henderson-Hasselbalch)

Beer-Lambert (A=εcl)

Masse → Mol

Konzentration % → M

ppm → mg/L

Temperatur C↔F↔K

Geben Sie ein, was Sie zubereiten möchten — ich erstelle eine SOP

📊 Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

📈 Molecular Predictor

⚠ Echtes Chemiker-Problem

Your First HPLC Analysis Ever

✅ So lösen wir das

Exact Solvent List

Grade Explanations

Consumption Calculator

Results

Shopping List

🔧 Interaktiver Rechner

Results

📚 Deep Education

Die Chemie der mobilen Phase verstehen

Why Acetonitrile vs Methanol?

Van Deemter Equation Impact

Buffer Selection: Why NH₄HCO₃?

💵 Cost Savings Calculator

1. Solwenty — ACN vs MeOH

2. Kolumna — z guard vs bez

3. Method development — SOP vs scratch

4. Fast gradient (high-throughput) — ROI

❓ Häufig gestellte Fragen

⚠ Gradient Problem From The Lab

Optymalizacja nachylenia gradientu (dG)

✅ Our Gradient Strategy

Vollständiger HPLC-Methodenleitfaden Fachlich begutachtet

Molecular Predictor

Echtes Chemiker-Problem

So lösen wir das

Interaktiver Rechner

Deep Education

Cost Savings Calculator

Häufig gestellte Fragen

Gradient Problem From The Lab

Our Gradient Strategy

Gradient Visualizer

Snyder-Dolan LSS Model

Häufig gestellte Fragen

Column Choice Dilemma

Recommended Columns

Column Lifetime Rules

Häufig gestellte Fragen

Detection Gotcha

DAD Settings

Alternative Detectors

Validation Reality Check

USP <621> + ICH Q2(R1) Criteria

Pre-Flight SST Checklist

Regulatory Compliance

Method Comparison Matrix

Interactive Troubleshooting Tree

Häufig gestellte Fragen

Prep Mistakes That Ruined The Run

Sample Prep Protocol

Why Filter 0.22 μm?

Forensische Analyse — echte Fehlschlag-Geschichten Gelernte Lektionen

Ask about this method

Share your scenario