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Dimethylformamide, CAS 68-12-2 — chemical product label

Dimethylformamide

DMF

CAS 68-12-2 C3H7NO Other CLP Danger
IARC-groep 2A — Waarschijnlijk kankerverwekkend voor de mens
CAS: 68-12-2 | IARC-bron
EU REACH_XIVEU SVHCUK UK_SVHCMolGod-score: Primair
MolGod_SDSCARD_1
REACH 2020/878
v1 · 23.09.2026

Specification

Product NameDimethylformamide
Other NamesDMF
CAS No.68-12-2
MFC3H7NO
Molecular weight73.09
Purity99%
AppearanceColorless and transparent liquid
Density0.944 g/mL at 25 °C
Melting point-61 °C
Boiling point153 °C
Flashing point136 °F

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

GHS pictogram GHS07 — Irritant / harmful GHS pictogram GHS08 — Health hazard

Danger

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

  • H360D May damage the unborn child
  • H332 Harmful if inhaled
  • H312 Harmful in contact with skin
  • H319 Causes serious eye irritation

European Chemicals Agency. "N,N-dimethylformamide; dimethyl formamide, Index No. 616-001-00-X." 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

Drum19 kg
IBC Drum1000 kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Dimethylformamide
Dimethylformamide
Dimethylformamide

Dimethylformamide (DMF, CAS 68-12-2) is a high-purity polar aprotic solvent with excellent chemical stability, high boiling point, and strong solvency. It is a colorless transparent liquid at room temperature with a slight amine-like odor.With molecular formula C₃H₇NO and molecular weight 73.09, it exhibits excellent compatibility with water and most organic solvents. Our DMF is mainly supplied as industrial or electronic grade with strict quality control, low moisture and impurity content, and stable performance.
It is widely used in chemical synthesis, synthetic leather production, pharmaceuticals, and electronic materials. As an important solvent in various industries, it ensures efficient processing and stable performance in different applications.

Dimethylformamide (DMF) Multi-functional Solution | Covers chemical synthesis, synthetic leather and pharmaceutical intermediates | Stable supply & reliable qualityDimethylformamide (DMF) Multi-functional Solution | Covers chemical synthesis, synthetic leather and pharmaceutical intermediates | Stable supply & reliable qualityDimethylformamide (DMF) Multi-functional Solution | Covers chemical synthesis, synthetic leather and pharmaceutical intermediates | Stable supply & reliable quality

Dimethylformamide (DMF) Multi-functional Solution | Covers chemical synthesis, synthetic leather and pharmaceutical intermediates | Stable supply & reliable quality

Product Description

Dimethylformamide (DMF, CAS 68-12-2) is an important high-purity organic solvent widely used in chemical, pharmaceutical, and synthetic material industries.

It has excellent solvency, good chemical stability, and a high boiling point, making it a highly effective solvent for a wide range of organic and inorganic substances.

It appears as a colorless transparent liquid at room temperature with a slight amine-like odor. Our DMF is produced as industrial or electronic grade with purity over 99%, strict control of moisture, acidity, and other impurities, ensuring stable and consistent quality for industrial use.

DMF is mainly used in chemical synthesis, usually as a reaction solvent or medium to improve reaction efficiency and product yield. It is also widely applied in synthetic leather (PU/PVC), pharmaceuticals, and electronic materials processing.

In addition, DMF is used in polymer manufacturing, agrochemicals, and coatings due to its strong dissolving ability and compatibility with various substances. In usage, DMF should be handled under dry and sealed conditions to prevent moisture absorption and contamination.

It is widely applied in synthetic materials, pharmaceuticals, and fine chemicals industries. With high efficiency and stable performance, DMF has become an indispensable basic material in modern chemical industries.

Dimethylformamide (DMF) Multi-functional Solution | Covers chemical synthesis, synthetic leather and pharmaceutical intermediates | Stable supply & reliable qualityorage systems. With high safety and stable performance, EC has become an indispensable basic material in modern energy and chemical industries.

Dimethylformamide (DMF) Multi-functional Solution | Covers chemical synthesis, synthetic leather and pharmaceutical intermediates | Stable supply & reliable quality

Delivery&Payment method

Dimethylformamide (DMF) Multi-functional Solution | Covers chemical synthesis, synthetic leather and pharmaceutical intermediates | Stable supply & reliable quality

Frequently asked

In what packaging is Dimethylformamide shipped?

Standard formats are Drum (19 kg), IBC Drum (1000 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 Dimethylformamide?

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%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Dimethylformamide

DMF, DMSO and NMP compared for organic synthesis

Three dipolar aprotic solvents that look interchangeable on paper and fail in entirely different ways in a real…

Article

N-Methylformamide: polar solvent, not a green one

NMF carries a harmonised reproductive toxicity classification. What it is genuinely good at, and why it is no…

Article

Ester solvents: how to pick the right one

Acetates, carbonates, plasticisers and reactive monomers all sell as esters. A selection guide by job, not by family…

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🧬 3D-molecuulvisualisator
Molecuul laden...
3D-model Dimethylformamide, CAS 68-12-2, molecuulformule C3H7NO, molaire massa 73.09 g/mol

Gegevens overgenomen uit regelgevende registers en vakliteratuur, met vermelding van bron en editie. Zij vervangen niet het veiligheidsinformatieblad van de leverancier. Velden zonder vastgelegde bron zijn als zodanig gemarkeerd.

📊 Fysisch-chemische gegevens — CAS 68-12-2MolGod_PROPHUB_MAIN
📊 Fysisch-chemische eigenschappen

Snel overzicht

Formule: C3H7NO
MW: 73.09 g/mol
CAS: 68-12-2

Gedetailleerde eigenschappen

A supplement to the „Physicochemical properties (database)” table below — repeated values are shown only once.

Eigenschap Waarde Eenheid Condities Bron
Brekingsindex (nD) 1.4305 20 °C, D-line Reid, Prausnitz, Poling 4th ed. (1987)
🔬 Geavanceerde eigenschappen

Chemische identificatoren

SMILES: CN(C)C=O

Gegevensbronnen: Reid, Prausnitz, Poling 4th ed. (1987) (ISBN 9780070517998)

Laatst bijgewerkt: 2026-09-21

Chemisch overzicht: DimethylformamideMolGod_OVERVIEW_1
MolecuulformuleC3H7NO[1]
Molecuulmassa73.09 g/mol[1]
Smeltpunt-60.4 °C[1][2]
Kookpunt153 °C (760 mmHg)[1][2]
Dichtheid0.9445 g/cm³[1]
LogP (lipofiliteit)-1.01[1]
IUPAC-naamN,N-dimethylformamide[1]
SMILESCN(C)C=O[1]
InChIKeyZMXDDKWLCZADIW-UHFFFAOYSA-N[1]

Synoniemen: N,N-DIMETHYLFORMAMIDE · Dimethylformamide · 68-12-2 · Dimethyl formamide · N-Formyldimethylamine

Gegevensbronnen: PubChem (NLM/NIH), Reid, Prausnitz, Poling 4th ed. (1987)
Laatst bijgewerkt: 2026-09-21

📚 Wetenschappelijke referenties (Chicago Author-Date) (2 bronnen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecuulformule · Molecuulmassa · Smeltpunt · Kookpunt · Dichtheid · LogP (lipofiliteit) · IUPAC-naam · SMILES · InChIKey
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Smeltpunt · Kookpunt

WETENSCHAPPELIJK ONDERZOEK

[1]Europe PMC2026
Redox-mediated domino electrosynthesis of N,N-dimethylformamide with industrial-relevant productivity and modularized cathodic integration.
et al.. (2026). "Redox-mediated domino electrosynthesis of N,N-dimethylformamide with industrial-relevant productivity and modularized cathodic integration.". https://doi.org/10.1038/s41467-026-71637-
Ga naar het volledige onderzoek ↗
[2]Europe PMC2026
Microbial Responses and Metabolic Mechanisms During Anaerobic Degradation of N,N-Dimethylformamide by Co-Cultured Sludge.
et al.. (2026). "Microbial Responses and Metabolic Mechanisms During Anaerobic Degradation of N,N-Dimethylformamide by Co-Cultured Sludge.". https://doi.org/10.3390/microorganisms14061172
Ga naar het volledige onderzoek ↗
[3]Europe PMC2026
Bioaugmentation stabilizes high-loading anaerobic N,N-dimethylformamide removal: process stability and microbial ecological responses.
et al.. (2026). "Bioaugmentation stabilizes high-loading anaerobic N,N-dimethylformamide removal: process stability and microbial ecological responses.". https://doi.org/10.1016/j.biortech.2026.135890
Ga naar het volledige onderzoek ↗
[4]Europe PMC2026
Nitrogen metabolism and microbial responses in anammox under dual stress of N,N-dimethylformamide.
et al.. (2026). "Nitrogen metabolism and microbial responses in anammox under dual stress of N,N-dimethylformamide.". https://doi.org/10.1016/j.jhazmat.2026.143019
Ga naar het volledige onderzoek ↗
[5]Europe PMC2026
Recent Progress of N,N-Dimethylformamide (DMF) as Versatile Synthons in Organic Synthesis.
et al.. (2026). "Recent Progress of N,N-Dimethylformamide (DMF) as Versatile Synthons in Organic Synthesis.". https://doi.org/10.1007/s41061-026-00543-1
Ga naar het volledige onderzoek ↗
[6]Europe PMC2026
Asymmetric Dual Sites Enable Spatially Resolved Biradical-Mediated C-N Coupling for N,N-Dimethylformamide Photoelectrosynthesis.
et al.. (2026). "Asymmetric Dual Sites Enable Spatially Resolved Biradical-Mediated C-N Coupling for N,N-Dimethylformamide Photoelectrosynthesis.". https://doi.org/10.1002/anie.9125401
Ga naar het volledige onderzoek ↗
[7]Europe PMC2026
Dynamic reconstruction of hydrogen-bond networks in N,N-dimethylformamide-water system revealed by 2D correlation Raman spectroscopy.
et al.. (2026). "Dynamic reconstruction of hydrogen-bond networks in N,N-dimethylformamide-water system revealed by 2D correlation Raman spectroscopy.". https://doi.org/10.1063/5.0325724
Ga naar het volledige onderzoek ↗
[8]Europe PMC2026
Pseudochrobactrum albidum sp. nov., a N,N-dimethylformamide-Degrading Bacterium Isolated from Activated Sludge of a Wastewater Treatment Plant.
et al.. (2026). "Pseudochrobactrum albidum sp. nov., a N,N-dimethylformamide-Degrading Bacterium Isolated from Activated Sludge of a Wastewater Treatment Plant.". https://doi.org/10.1007/s00284-026-04
Ga naar het volledige onderzoek ↗
📚 Wetenschappelijke referenties (Chicago Author-Date) 18 refs · 4 baz

MOLECULE Bibliografie per CAS (live uit 13+ databases)

Bronnen: db:Europe PMC (12) · db:arxiv (5) · db:pubmed (1) · db:crossref (1)

  1. db:Europe PMC et al.. (2026). "Redox-mediated domino electrosynthesis of N,N-dimethylformamide with industrial-relevant productivity and modularized cathodic integration.". https://doi.org/10.1038/s41467-026-71637-z →
  2. db:Europe PMC et al.. (2026). "Microbial Responses and Metabolic Mechanisms During Anaerobic Degradation of N,N-Dimethylformamide by Co-Cultured Sludge.". https://doi.org/10.3390/microorganisms14061172 →
  3. db:Europe PMC et al.. (2026). "Bioaugmentation stabilizes high-loading anaerobic N,N-dimethylformamide removal: process stability and microbial ecological responses.". https://doi.org/10.1016/j.biortech.2026.135890 →
  4. db:Europe PMC et al.. (2026). "Nitrogen metabolism and microbial responses in anammox under dual stress of N,N-dimethylformamide.". https://doi.org/10.1016/j.jhazmat.2026.143019 →
  5. db:Europe PMC et al.. (2026). "Recent Progress of N,N-Dimethylformamide (DMF) as Versatile Synthons in Organic Synthesis.". https://doi.org/10.1007/s41061-026-00543-1 →
  6. db:Europe PMC et al.. (2026). "Asymmetric Dual Sites Enable Spatially Resolved Biradical-Mediated C-N Coupling for N,N-Dimethylformamide Photoelectrosynthesis.". https://doi.org/10.1002/anie.9125401 →
  7. db:Europe PMC et al.. (2026). "Dynamic reconstruction of hydrogen-bond networks in N,N-dimethylformamide-water system revealed by 2D correlation Raman spectroscopy.". https://doi.org/10.1063/5.0325724 →
  8. db:Europe PMC et al.. (2026). "Regulating the Adsorption Configuration of Intermediates to Construct C─N Bonds From CO2 for High-Efficiency N,N-Dimethylformamide Electrosynthesis.". https://doi.org/10.1002/anie.4379815 →
  9. db:Europe PMC (2025). "Solvation Structure and Dynamics of the Thiocyanate Anion in mixed N,N-Dimethylformamide-Water Solvents: A Molecular Dynamics Approach.". https://doi.org/10.1002/cphc.202400732 →
  10. db:Europe PMC et al.. (2025). "Life Cycle Assessment of Solvothermal Zeolitic Imidazolate Framework-8 Synthesis: Is the Substitution of N,N-Dimethylformamide with Glycerol Carbonate Environmentally Sustainable?". https://doi.org/10.1002/cssc.202502019 →
  11. db:Europe PMC et al.. (2024). "The potential health risks of N,N-dimethylformamide: An updated review.". https://doi.org/10.1002/jat.4590 →
  12. db:arxiv Fernando Hevia, Karine Ballerat-Busserolles, Yohann Coulier et al.. (2024). "Thermodynamics of amide+amine mixtures. 5. Excess molar enthalpies of N,N-dimethylformamide or N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine systems. ERAS results". arXiv (2409.17925v1). https://doi.org/10.1016/j.fluid.2019.112283 →
  13. db:arxiv Fernando Hevia, Juan Antonio González, Ana Cobos et al.. (2024). "Thermodynamics of amide+amine mixtures. 4. Relative permittivities of N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine and of N,N-dimethylformamide+aniline mixtures". arXiv (2409.16156v1). https://doi.org/10.1016/j.jct.2017.11.011 →
  14. db:arxiv Fernando Hevia, Juan Antonio González, Isaías García de la Fuente et al.. (2024). "Thermodynamics of amide + amine mixtures. 3. Relative permittivities of N,N-dimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures". arXiv (2409.15208v1). https://doi.org/10.1016/j.molliq.2017.05.025 →
  15. db:arxiv Fernando Hevia, Ana Cobos, Juan Antonio González et al.. (2024). "Thermodynamics of Amide + Amine Mixtures. 1. Volumetric, Speed of Sound, and Refractive Index Data for N,N-Dimethylformamide +N-Propylpropan-1-amine, +N-Butylbutan-1-amine, +Butan-1-amine, or +Hexan-1-amine Systems at Several Temperatures". arXiv (2409.07472v1). https://doi.org/10.1021/acs.jced.5b00802 →
  16. db:arxiv Ana Cobos, Fernando Hevia, Juan Antonio González et al.. (2024). "Thermodynamics of amide + ketone mixtures. 1. Volumetric, speed of sound and refractive index data for N,N-dimethylformamide + 2-alkanone systems at several temperatures". arXiv (2408.15644v1). https://doi.org/10.1016/j.jct.2016.02.016 →
  17. db:pubmed Wei ZH, Salami OO, Koya J et al.. (2022). "N,N-Dimethylformamide Delays LPS-Induced Preterm Birth in a Murine Model by Suppressing the Inflammatory Response.". Reproductive sciences (Thousand Oaks, Calif.). https://doi.org/10.1007/s43032-022-00924-z →
  18. db:crossref R. Muñoz, J.B. Montón, M.C. Burguet et al.. (2005). "Phase equilibria in the systems isobutyl alcohol+N,N-dimethylformamide, isobutyl acetate+N,N-dimethylformamide and isobutyl alcohol+isobutyl acetate+N,N-dimethylformamide at 101.3kPa". Fluid Phase Equilibria. https://doi.org/10.1016/j.fluid.2005.03.014 →
Regelgevingsstatus van de stof
Inventarissen: EU/REACH_XIV, EU/SVHC, UK/UK_SVHC. Regelgevingsinformatie — beperkt de aankoop in deze winkel niet.
🧮 StoichiometrierekenmachineMolGod_STOICH_1
🧪 Chemische gegevensMolGod_CHEMDATA_1
CAS-nummer
68-12-2
Molecuulformule
C3H7NO
Molaire massa
73.09 g/mol
IUPAC-naam (EN)
N,N-dimethylformamide
SMILES
CN(C)C=O
InChIKey
ZMXDDKWLCZADIW-UHFFFAOYSA-N
📚 Scientific literature (19 articles)MolGod_LITSCI_1
Filteren:
Sorteren:
📈 Publicatietijdlijn
2005
2024
2025
2026
📡 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
152.9
Temp. topnienia
-60.5
Density
0.95

Source: PubChem, NIST WebBook. Last updated: 2026-09-21

🔍 Externe identificatorenMolGod_EXTID_1
15 van 16 ID-systemen94%
DatabaseIdentificatorActies
CAS Registry Number68-12-2Openen →
PubChem CID6228[1]Openen →
InChIKeyZMXDDKWLCZADIW-UHFFFAOYSA-N[1]Openen →
InChIInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3[1]
SMILESCN(C)C=O[1]
EC Number200-679-5[2]Openen →
ChEMBLCHEMBL268291[3]Openen →
DrugBankDB01844Openen →
KEGG CompoundC03134Openen →
HMDBHMDB0001888Openen →
ChemSpider5993[4]Openen →
MeSH UID (NLM)D004126Openen →
UNII (FDA)8696NH0Y2XOpenen →
NSC Number (NCI)5356Openen →
WikiData QIDQ409298Openen →

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

📚 Wetenschappelijke referenties (Chicago Author-Date) (4 bronnen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider
📡 Spectroscopie — CAS 68-12-2MolGod_SPECHUB_MAIN
📊 Databases met spectroscopische spectra — inline-gegevens 9 bronnen MolGod_SPECDB_2

Spectra worden op aanvraag opgehaald uit 9 bronnen. Elk spectrum wordt opgeslagen in onze database — de volgende keer openen = geen enkele aanvraag naar de externe API. Download JCAMP-DX / CSV / PNG bij elk spectrum zonder te zoeken.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
CC-BY-SA 4.0
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 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
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 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

Referentiebron — geen openbare API. Openen in een externe database:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Referentiebron — geen openbare API. Openen in een externe database:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Referentiebron — geen openbare API. Openen in een externe database:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Referentiebron — geen openbare API. Openen in een externe database:

🔗 DOAJ →
📚 DOAJ — doaj.org

De gegevens worden eenmalig opgehaald (JCAMP-DX-parser) en opgeslagen in de lokale database van de plug-in. Geen dubbele downloads, geen NIST-verzoeken bij volgende keren openen. Licenties worden gerespecteerd (alleen een deeplink en een eigen visualisatie worden gepubliceerd).

🔬 Interactieve spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Gegevens worden live opgehaald uit meerdere bronnen (priority-chain). JCAMP-DX / CSV / PNG beschikbaar om te downloaden onder elk spectrum.

IR — Fourier-transform infrarood

IR — Fourier-transform infrarood wordt geladen…

MS — massaspectrometrie (EI 70eV)

MS — massaspectrometrie (EI 70eV) wordt geladen…

Structurele eigenschappenMolGod_STRUCT3D_1

Structurele gegevens worden geladen...

❓ Veelgestelde vragen (3)MolGod_FAQ_1
What is 68-12-2?
68-12-2 (CAS 68-12-2) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Nuttig?
What is the CAS number of 68-12-2?
The CAS number for 68-12-2 is 68-12-2. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Nuttig?
How should 68-12-2 be stored?
68-12-2 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.
Nuttig?
➕ Stel een vraag voor
Structuurbestanden downloadenMolGod_STRDL_1

Moleculaire structuurbestanden uit de PubChem-database (NIH). Compatibel met programma's: Avogadro, PyMOL, Jmol, ChemDraw.

Bron: PubChem, National Library of Medicine (NIH). CID: 6228

🔄 Omrekenaar voor concentratie-eenheden LIVE MolGod_UNITCONV_1

Voer de concentratie Dimethylformamide in een willekeurige eenheid in — de rest wordt automatisch berekend.

MW: 73.09 g/mol · IUPAC Gold Book ↗

⚗️ Conversieformules + citaten (per formule)
ConversieFormuleNauwkeurigheidBron
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen 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) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (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 ↔ molarityc (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 ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen 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 ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen 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)
📚 Bibliografie (8 gezaghebbende bronnen)
  1. 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
  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). 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
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. 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
  6. 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)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. 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
Vergelijkbare moleculaire structurenMolGod_SIMSTR_1

Vergelijkbare structuren worden geladen...

🧪 Wizard voor het bereiden van oplossingen WIZARD MolGod_PREP_1
① Selecteer concentratie
② Doelvolume
③ Oplosmiddel

Berekeningen volgens: IUPAC Gold Book ↗, Merck ↗

Computationele chemieMolGod_COMPCHEM_1

Computationele gegevens worden geladen...

🛡️ Veiligheid — CAS 68-12-2MolGod_SAFEHUB_MAIN
Mededeling over gegevensbeperkingen. De veiligheidsinformatie op deze pagina is uitsluitend ter informatie en vervangt geen volledig veiligheidsinformatieblad (SDS). Raadpleeg vóór gebruik van het product het actuele veiligheidsinformatieblad van de fabrikant en de GHS/CLP-richtlijnen. De CLP-indeling geldt voor de zuivere bulkstof, niet voor commerciële formuleringen.

GHS/CLP-indeling — Verordening (EG) nr. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Gevaar (Danger)
GHS07 — Irriterend / schadelijk
GHS07 Irriterend / schadelijk
GHS08 — Gezondheidsgevaar
GHS08 Gezondheidsgevaar

🚨 Gevarenaanduidingen (H)

  • H360D — Kan het ongeboren kind schaden.
  • H332 — Schadelijk bij inademing.
  • H312 — Schadelijk bij contact met de huid.
  • H319 — Veroorzaakt ernstige oogirritatie.

🛡 Voorzorgsmaatregelen (P)

  • P203 — Vóór gebruik alle veiligheidsinstructies raadplegen, lezen en opvolgen.
  • P264 — Na het werken met dit product … grondig wassen.

✓ Geharmoniseerde indeling overeenkomstig bijlage VI bij de CLP-verordening (EG) 1272/2008 (officiële, bindende indeling). Indexnummer: 616-001-00-X.

Referentie (Chicago): European Chemicals Agency. "N,N-dimethylformamide; dimethyl formamide, Index No. 616-001-00-X." 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.

⚠ IARC — Groep 2A: waarschijnlijk kankerverwekkend voor de mens. (Onafhankelijke beoordeling van het bewijs voor kankerverwekkendheid door IARC/WHO — vult de bovenstaande CLP-indeling aan.)
Referentie (Chicago): IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 68-12-2. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.
Indeling uit de lokale MOL-GOD-lijst (snapshot) — niet geverifieerd tegen de actuele IARC-lijst. Verifiëren

Vertalingen: CLP-verordening (EG) 1272/2008, Bijlage III en IV. Gegevens: PubChem/NLM.

📚 Geconsolideerde wetenschappelijke referenties — Chicago Author-Date 10 bronnen

Referenties verzameld uit alle tabbladen van de Safety Hub. CAS: 68-12-2 · PubChem ↗

  1. 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, Regelgeving
  2. 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
  3. 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
  4. 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
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. 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

Tabbladen met eigen referenties (Emergency, PPE, Storage, Waste) bevatten aanvullende bibliografische vermeldingen binnen hun respectieve secties.

📈 Analytische statistiek (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Plak een reeks herhaalde metingen (CSV of één getal per regel). De calculator berekent het gemiddelde, de standaardafwijking en 95% CI, en detecteert uitschieters (Grubbs + Dixon Q).

Scheidingsteken: komma, spatie, tab, nieuwe regel. Minimaal 3 metingen.
📐 Statistische formules
  • x̄ = Σxᵢ / n — rekenkundig gemiddelde
  • s² = Σ(xᵢ - x̄)² / (n-1) — steekproefvariantie
  • s = √s² — standaardafwijking
  • RSD% = (s / x̄) × 100% — relatieve standaardafwijking
  • 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

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

🧪 Bufferrecept-calculator UNIEK
Literatuur: pKa-waarden uit Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Kies een buffer uit de lijst van 20 populaire systemen → voer de streef-pH in → ontvang een exact recept met de af te wegen massa's.

Stap 1: Kies een buffersysteem

📜 Receptgeschiedenis (laatste 10)
Farmacologische status

Prekliniczny

Fase I
Fase II
Fase III
Goedgekeurd

Preklinisch — geen gegevens uit onderzoek bij mensen.

ChEMBL CHEMBL268291 ↗

🚚 Transportclassificatie (ADR / IATA / IMDG) UN 2265
UN-nummer
UN 2265
UN number per the indicated source. Verify the transport class and packing group in ADR Table A / UN Model Regulations before shipment.
Bron: Karta SDS sek.14 (kanon zmaterializowany)

🛣️ ADR Wegvervoer

Klasse:
Verpakkingsgroep:
Vervoersnaam:

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

📅 Project Planner — Lab Experiment Manager NIEUW

Plan uw volledige laboratoriumproject: voeg experimenten toe met reagentia, replicaten en duur. U ontvangt een Gantt-diagram, een boodschappenlijst (met links naar de winkel!), een budget met 10% marge en een GHS-risicomatrix.

🧪 Oplosbaarheid en compatibiliteit met oplosmiddelen MolGod_SOLUB_1
Molecuul
Dimethylformamide
Formule
C3H7NO
logP (XLogP3)
-1.00
Massa (g/mol)
73.09
Polariteit
Hydrofiel (polair)

⚠️ HSP-schatting (literatuur / group contribution). Indicatieve gegevens — vervangen geen experimenteel onderzoek.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 8..

Oplosmiddel Compat. Ra Visueel GC-MS HPLC Toepassingen Referenties
Water (H₂O)miscible31.3
✗ NieA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)~ Gem.10.0
✗ NieA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)− Slecht12.0
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone+ Goed6.6
✗ NieB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)+ Goed7.9
✗ NieB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO+ Goed3.5
✗ NieN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF~ Gem.8.7
✗ NieB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)~ Gem.9.2
✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)− Slecht12.0
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane− Slecht18.4
✓ TakA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene− Slecht15.5
✓ TakB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 Wetenschappelijke referenties voor oplosmiddelen (Chicago Author-Date) — klik om uit te vouwen

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

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Oplosbaarheidstheorie (toegepast bij de voorspelling van compatibiliteit):
  1. 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).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP-triplet (dD, dP, dH) + Ra-formule.
  3. 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
  4. 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.
  5. 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.
  6. 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.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Volledige tabellarische set van 250+ oplosmiddelen (ε, μ, doniciteit, acceptorgetallen).
  8. PubChem Compound Database — CAS 68-12-2 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Volledige bibliografie in het accordeon REFERENTIES (onderaan de pagina) — Chicago Manual of Style 17th ed., Author-Date.

⚗️ Controleer de reactiecompatibiliteit MolGod_RXNCOMP_1
2 0 0
Gezondheid: 2/4
Ontvlambaarheid: 0/4
Reactiviteit: 0/4
Volgens NFPA 704 / berekend uit H-codes

Controleer of Dimethylformamide compatibel is met een ander reagens

📦 Opslagcompatibiliteitsmatrix
Zuren Basen Oxidatoren Ontvlambaar Giftig Gazy
Zuren ✓ ✗ ✗ ✗ ⚠ ✗
Basen ✗ ✓ ⚠ ⚠ ⚠ ⚠
Oxidatoren ✗ ⚠ ✓ ✗ ⚠ ✗
Ontvlambaar ✗ ⚠ ✗ ✓ ⚠ ✗
Giftig ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Samen te bewaren · ⚠ Voorzichtig · ✗ NIET samen bewaren · OSHA Chemical Segregation ↗

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

🧮 Laboratoriumcalculators (8) MolGod_LABCALC_1
Verdunning (C₁V₁=C₂V₂)
Molariteit (M=n/V)
pH-buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Massa → Mol
Concentratie % → M
ppm → mg/L
Temperatuur C↔F↔K

Geverifieerde formules: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopische spectradatabases MolGod_SPECDB_3
📋 Generator van laboratoriumprotocollen MolGod_PROTOCOL_1

Protocol gegenereerd op basis van: GHS SDS, Aldrich Lab Guide ↗

🏷️ Etikettengenerator (QR) MolGod_LABEL_1
Dimethylformamide• N,n-dimethylformamide / Dimethylformamid• IUPAC: N,N-dimethylformamide• CAS: 68-12-2• EC: 200-679-5• Formule: C3H7NO• Massa: 73.09 g/molGEVAARGHS-GEVARENAANDUIDINGEN:H360D H332 H312 H319P203 P264Uitsluitend voor laboratoriumgebruik!Anhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
Deskryptory Lipinskiego (struktura)

Radardiagram van drug-likeness (Lipinski Ro5 / Veber). Groene zone = overeenstemming met de criteria.

Voorspellende gegevens — eigenschappen berekend in silico (SMILES/RDKit). Deze vervangen geen klinische studies. Niet gebruiken voor de beoordeling van geneesmiddelen zonder experimentele verificatie.

MW73.1LogP-1HBD0HBA1RotB0TPSA20.3 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=73, LogP=-1)✗ REOS (MW=73)✓ Lead-like Ro3
EigenschapWaardeBeoordeling
Absorptie (GI)hoog✓
BBB-permeabiliteitja (dringt door)
Biobeschikbaarheid (Daina 2017)
55%
CYP450-profielCYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
PAINS-waarschuwingen0✓
Brenk-waarschuwingen0✓
pKa (pH 7.4)9 (predicted)
hERG (cardiotox.)✓ nee
P-gp-substraat—
Ames-mutageniteit✓ nee
DILI (hepatotox.)—
LogS (wateroplosb.)—
Bronnen (ADMET-methodologie)
  1. 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.
  2. 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.
  3. 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.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. 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.
  6. 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.
  7. 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.
  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.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. 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.
  11. 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.
  12. 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.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. 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.
  15. 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.
  16. 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.
  17. 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.
  18. 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.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. et al.. (2026). "Redox-mediated domino electrosynthesis of N,N-dimethylformamide with industrial-relevant productivity and modularized cathodic integration.". https://doi.org/10.1038/s41467-026-71637-z
  22. et al.. (2026). "Microbial Responses and Metabolic Mechanisms During Anaerobic Degradation of N,N-Dimethylformamide by Co-Cultured Sludge.". https://doi.org/10.3390/microorganisms14061172
  23. et al.. (2026). "Bioaugmentation stabilizes high-loading anaerobic N,N-dimethylformamide removal: process stability and microbial ecological responses.". https://doi.org/10.1016/j.biortech.2026.135890
  24. et al.. (2026). "Nitrogen metabolism and microbial responses in anammox under dual stress of N,N-dimethylformamide.". https://doi.org/10.1016/j.jhazmat.2026.143019
  25. et al.. (2026). "Recent Progress of N,N-Dimethylformamide (DMF) as Versatile Synthons in Organic Synthesis.". https://doi.org/10.1007/s41061-026-00543-1
  26. et al.. (2026). "Asymmetric Dual Sites Enable Spatially Resolved Biradical-Mediated C-N Coupling for N,N-Dimethylformamide Photoelectrosynthesis.". https://doi.org/10.1002/anie.9125401
  27. et al.. (2026). "Dynamic reconstruction of hydrogen-bond networks in N,N-dimethylformamide-water system revealed by 2D correlation Raman spectroscopy.". https://doi.org/10.1063/5.0325724
  28. et al.. (2026). "Regulating the Adsorption Configuration of Intermediates to Construct C─N Bonds From CO2 for High-Efficiency N,N-Dimethylformamide Electrosynthesis.". https://doi.org/10.1002/anie.4379815
  29. (2025). "Solvation Structure and Dynamics of the Thiocyanate Anion in mixed N,N-Dimethylformamide-Water Solvents: A Molecular Dynamics Approach.". https://doi.org/10.1002/cphc.202400732
  30. et al.. (2025). "Life Cycle Assessment of Solvothermal Zeolitic Imidazolate Framework-8 Synthesis: Is the Substitution of N,N-Dimethylformamide with Glycerol Carbonate Environmentally Sustainable?". https://doi.org/10.1002/cssc.202502019
  31. et al.. (2024). "The potential health risks of N,N-dimethylformamide: An updated review.". https://doi.org/10.1002/jat.4590
  32. Fernando Hevia, Karine Ballerat-Busserolles, Yohann Coulier et al.. (2024). "Thermodynamics of amide+amine mixtures. 5. Excess molar enthalpies of N,N-dimethylformamide or N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine systems. ERAS results". arXiv (2409.17925v1). https://doi.org/10.1016/j.fluid.2019.112283
  33. Fernando Hevia, Juan Antonio González, Ana Cobos et al.. (2024). "Thermodynamics of amide+amine mixtures. 4. Relative permittivities of N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine and of N,N-dimethylformamide+aniline mixtures". arXiv (2409.16156v1). https://doi.org/10.1016/j.jct.2017.11.011
  34. Fernando Hevia, Juan Antonio González, Isaías García de la Fuente et al.. (2024). "Thermodynamics of amide + amine mixtures. 3. Relative permittivities of N,N-dimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures". arXiv (2409.15208v1). https://doi.org/10.1016/j.molliq.2017.05.025
  35. Fernando Hevia, Ana Cobos, Juan Antonio González et al.. (2024). "Thermodynamics of Amide + Amine Mixtures. 1. Volumetric, Speed of Sound, and Refractive Index Data for N,N-Dimethylformamide +N-Propylpropan-1-amine, +N-Butylbutan-1-amine, +Butan-1-amine, or +Hexan-1-amine Systems at Several Temperatures". arXiv (2409.07472v1). https://doi.org/10.1021/acs.jced.5b00802
  36. Ana Cobos, Fernando Hevia, Juan Antonio González et al.. (2024). "Thermodynamics of amide + ketone mixtures. 1. Volumetric, speed of sound and refractive index data for N,N-dimethylformamide + 2-alkanone systems at several temperatures". arXiv (2408.15644v1). https://doi.org/10.1016/j.jct.2016.02.016
  37. Wei ZH, Salami OO, Koya J et al.. (2022). "N,N-Dimethylformamide Delays LPS-Induced Preterm Birth in a Murine Model by Suppressing the Inflammatory Response.". Reproductive sciences (Thousand Oaks, Calif.). https://doi.org/10.1007/s43032-022-00924-z
  38. R. Muñoz, J.B. Montón, M.C. Burguet et al.. (2005). "Phase equilibria in the systems isobutyl alcohol+N,N-dimethylformamide, isobutyl acetate+N,N-dimethylformamide and isobutyl alcohol+isobutyl acetate+N,N-dimethylformamide at 101.3kPa". Fluid Phase Equilibria. https://doi.org/10.1016/j.fluid.2005.03.014
  39. 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 ↗]
  40. et al. 2024. "The potential health risks of N,N-dimethylformamide: An updated review." DOI: 10.1002/jat.4590. [DOI ↗]
  41. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
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  43. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
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  45. 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 ↗]
  46. Fernando Hevia, Karine Ballerat-Busserolles, Yohann Coulier et al. 2024. "Thermodynamics of amide+amine mixtures. 5. Excess molar enthalpies of N,N-dimethylformamide or N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine systems. ERAS results." arXiv (2409.17925v1). DOI: 10.1016/j.fluid.2019.112283. [DOI ↗]
  47. Fernando Hevia, Juan Antonio González, Ana Cobos et al. 2024. "Thermodynamics of amide+amine mixtures. 4. Relative permittivities of N,N-dimethylacetamide+N-propylpropan-1-amine, +N-butylbutan-1-amine, +butan-1-amine, or +hexan-1-amine and of N,N-dimethylformamide+aniline mixtures." arXiv (2409.16156v1). DOI: 10.1016/j.jct.2017.11.011. [DOI ↗]
  48. Fernando Hevia, Juan Antonio González, Isaías García de la Fuente et al. 2024. "Thermodynamics of amide + amine mixtures. 3. Relative permittivities of N,N-dimethylformamide + N-propylpropan-1-amine, + N-butylbutan-1-amine, + butan-1-amine, or + hexan-1-amine systems at several temperatures." arXiv (2409.15208v1). DOI: 10.1016/j.molliq.2017.05.025. [DOI ↗]
  49. Fernando Hevia, Ana Cobos, Juan Antonio González et al. 2024. "Thermodynamics of Amide + Amine Mixtures. 1. Volumetric, Speed of Sound, and Refractive Index Data for N,N-Dimethylformamide +N-Propylpropan-1-amine, +N-Butylbutan-1-amine, +Butan-1-amine, or +Hexan-1-amine Systems at Several Temperatures." arXiv (2409.07472v1). DOI: 10.1021/acs.jced.5b00802. [DOI ↗]
  50. Ana Cobos, Fernando Hevia, Juan Antonio González et al. 2024. "Thermodynamics of amide + ketone mixtures. 1. Volumetric, speed of sound and refractive index data for N,N-dimethylformamide + 2-alkanone systems at several temperatures." arXiv (2408.15644v1). DOI: 10.1016/j.jct.2016.02.016. [DOI ↗]
  51. GILL, D. S.; SHARMA, A. N. 1982. "ChemInform Abstract: ACETONE + N,N‐DIMETHYLFORMAMIDE SOLVENT SYSTEM. PART 3. VISCOSITY MEASUREMENTS OF SOME ELECTROLYTES IN ACETONE, N,N‐DIMETHYLFORMAMIDE, AND ACETONE + N,N‐DIMETHYLFORMAMIDE MIXTURES AT 25°C." Chemischer Informationsdienst. DOI: 10.1002/chin.198220067. [DOI ↗]
  52. JACKSON, W. G.; FEE, W. W. 1975. "ChemInform Abstract: REACTIONS OF CIS‐ AND TRANS‐BROMO(DIMETHYLFORMAMIDE) AND BIS(DIMETHYLFORMAMIDE)BIS(ETHYLENEDIAMINE)CHROMIUM(III) IN DIMETHYLFORMAMIDE, KINETICS, STEREOCHEMISTRY, AND EQUILIBRIA." Chemischer Informationsdienst. DOI: 10.1002/chin.197527364. [DOI ↗]
  53. Jackson, W. G.; Fee, W. W. 1975. "Reactions of cis- and trans-bromo(dimethylformamide) and bis(dimethylformamide)bis(ethylenediamine)chromium(III) in dimethylformamide. Kinetics, stereochemistry, and equilibriums." Inorganic Chemistry. DOI: 10.1021/ic50147a040. [DOI ↗]
  54. JACKSON, W. G., FEE, W. W.. 1975. "ChemInform Abstract: REACTIONS OF CIS‐ AND TRANS‐BROMO(DIMETHYLFORMAMIDE) AND BIS(DIMETHYLFORMAMIDE)BIS(ETHYLENEDIAMINE)CHROMIUM(III) IN DIMETHYLFORMAMIDE, KINETICS, STEREOCHEMISTRY, AND EQUILIBRIA." Chemischer Informationsdienst 6 (27). https://doi.org/10.1002/chin.197527364. [DOI ↗]
  55. Jackson, W. G., Fee, W. W.. 1975. "Reactions of cis- and trans-bromo(dimethylformamide) and bis(dimethylformamide)bis(ethylenediamine)chromium(III) in dimethylformamide. Kinetics, stereochemistry, and equilibriums." Inorganic Chemistry 14 (5): 1161-1170. https://doi.org/10.1021/ic50147a040. [DOI ↗]
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  59. et al. 2026. "Redox-mediated domino electrosynthesis of N,N-dimethylformamide with industrial-relevant productivity and modularized cathodic integration." DOI: 10.1038/s41467-026-71637-z. [DOI ↗]
  60. et al. 2026. "Bioaugmentation stabilizes high-loading anaerobic N,N-dimethylformamide removal: process stability and microbial ecological responses." DOI: 10.1016/j.biortech.2026.135890. [DOI ↗]
  61. et al. 2026. "Nitrogen metabolism and microbial responses in anammox under dual stress of N,N-dimethylformamide." DOI: 10.1016/j.jhazmat.2026.143019. [DOI ↗]
  62. et al. 2026. "Recent Progress of N,N-Dimethylformamide (DMF) as Versatile Synthons in Organic Synthesis." DOI: 10.1007/s41061-026-00543-1. [DOI ↗]
  63. et al. 2026. "Asymmetric Dual Sites Enable Spatially Resolved Biradical-Mediated C-N Coupling for N,N-Dimethylformamide Photoelectrosynthesis." DOI: 10.1002/anie.9125401. [DOI ↗]
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📚 Overzicht van de wetenschappelijke literatuur — CAS 68-12-2MolGod_LITHUB_MAIN
⭐ Belangrijkste bevindingen (wetenschappelijke literatuur) 17 publicaties
🏆 CAS 68-12-2 — multi-criteria ranking (W12): 30% citaties · 20% recentheid · 20% onderwerp · 15% historisch · 15% open access.
  1. #1
    et al. (2026) · Nature Communications
    Waarom het belangrijk is: Recent (2026) · open access
    SCORE 9.55 Mechanisme Citations: 1 Open Access DOI ↗ PubMed ↗
  2. #2
    et al. (2025) · ChemSusChem
    Waarom het belangrijk is: Recent (2025) · open access
    SCORE 9.28 Mechanisme Citations: 2 Open Access DOI ↗ PubMed ↗
  3. #3
    Ioannis Skarmoutsos; Ilias G. Karvounis (2025) · ChemPhysChem
    Waarom het belangrijk is: Recent (2025) · open access
    SCORE 8.86 Mechanisme Citations: 3 Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2024) · Journal of Applied Toxicology
    Waarom het belangrijk is: Recent (2024)
    SCORE 8.64 Industrie Citations: 18 DOI ↗ PubMed ↗
  5. #5
    et al. (2026) · Microorganisms
    Waarom het belangrijk is: Recent (2026) · open access
    SCORE 7.05 Mechanisme Open Access DOI ↗ PubMed ↗
  6. #6
    et al. (2026) · Angewandte Chemie International Edition
    Waarom het belangrijk is: Recent (2026) · open access
    SCORE 7.05 Mechanisme Open Access DOI ↗ PubMed ↗
  7. #7
    et al. (2026) · Topics in Current Chemistry
    Waarom het belangrijk is: Recent (2026)
    SCORE 6.4 Mechanisme DOI ↗ PubMed ↗
  8. #8
    et al. (2026) · Angewandte Chemie International Edition
    Waarom het belangrijk is: Recent (2026)
    SCORE 6.4 Mechanisme DOI ↗ PubMed ↗
  9. #9
    Fernando Hevia, Karine Ballerat-Busserolles, Yohann Coulier et al. (2024) · arXiv (2409.17925v1)
    Waarom het belangrijk is: Recent (2024) · open access
    SCORE 6.25 Mechanisme Open Access DOI ↗
  10. #10
    Fernando Hevia, Juan Antonio González, Ana Cobos et al. (2024) · arXiv (2409.16156v1)
    Waarom het belangrijk is: Recent (2024) · open access
    SCORE 6.25 Mechanisme Open Access DOI ↗
  11. #11
    Fernando Hevia, Juan Antonio González, Isaías García de la Fuente et al. (2024) · arXiv (2409.15208v1)
    Waarom het belangrijk is: Recent (2024) · open access
    SCORE 6.25 Mechanisme Open Access DOI ↗
  12. #12
    Fernando Hevia, Ana Cobos, Juan Antonio González et al. (2024) · arXiv (2409.07472v1)
    Waarom het belangrijk is: Recent (2024) · open access
    SCORE 6.25 Mechanisme Open Access DOI ↗
  13. #13
    Ana Cobos, Fernando Hevia, Juan Antonio González et al. (2024) · arXiv (2408.15644v1)
    Waarom het belangrijk is: Recent (2024) · open access
    SCORE 6.25 Mechanisme Open Access DOI ↗
  14. #14
    Wei ZH, Salami OO, Koya J et al. (2022) · Reproductive sciences (Thousand Oaks, Calif.)
    Waarom het belangrijk is: Open access
    SCORE 5.85 Mechanisme Open Access DOI ↗ PubMed ↗
  15. #15
    et al. (2026) · The Journal of Chemical Physics
    Waarom het belangrijk is: Recent (2026)
    SCORE 5.6 Mechanisme DOI ↗ PubMed ↗
  16. #16
    Chalcocite-catalyzed Fenton coupling with biodegradation for N,N-dimethylformamide treatment: insights into mechanism and cost-effectiveness
    et al. (2025)
    Waarom het belangrijk is: Recent (2025)
    SCORE 4.8 Mechanisme
  17. #17
    R. Muñoz, J.B. Montón, M.C. Burguet et al. (2005) · Fluid Phase Equilibria
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 4.03 Mechanisme Citations: 21 DOI ↗
🔬 HPLC — methoden en parameters — CAS 68-12-2MolGod_HPLCHUB_MAIN
📈 HPLC-gradiënt — optimalisator (LSS) SJABLOON

Gradiënt gebaseerd op PubChem XLogP3 + LSS (Snyder et al. 2010, hfdst. 9).

  • Kolom: C18
  • Buffer: phosphate
  • Debiet: 1 mL/min
  • logP: -1 (PubChem XLogP3)
  • Ramp: 5% → 95% B, 10 min
  • Totale analysetijd: 23 min
t (min) %A %B flow (mL/min) Opmerking
0 95 5 1 start (evenwicht)
2 95 5 1 einde van de initiële hold
12 5 95 1 einde van de LSS-ramp
17 5 95 1 kolomspoeling
18 95 5 1 terug naar init
23 95 5 1 her-equilibratie
📚 Wetenschappelijke referenties (Chicago Author-Date)
  1. 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).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. 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.
  4. 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.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. 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.
  7. 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 ↗]
  8. 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).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. 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/68-12-2

📐 Kolomafmetingen — van Deemter-calculator N=12,466

Formule: 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).

Afmetingen150 × 4.6 mm, 5 µm
Theoretische schotels (N)12,466
N bij u_opt12,500
HETP (huidig)12.032 µm
Min. HETP12 µm
Lineaire snelheid (u)0.1003 cm/s
u_opt (van Deemter)0.12 cm/s
Tegendruk (ΔP)42.1 bar
Analysetijd (dood volume)2.49 min
📚 Wetenschappelijke referenties (Chicago Author-Date)
  1. 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.
  2. 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).
  3. 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.
  4. 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.
  5. 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).
  6. 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.
  7. 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).
  8. 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.
  9. Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/68-12-2

🧪 Mobiele fase — compatibiliteitsmatrix MISCIBLE
Component Naam UV-cutoff (nm) P' Detectoren
Oplosm. Acetonitrile (MeCN) 190 5.8 UV, MS, ELSD, RID, FLD
Oplosm. Water 190 10.2 UV, MS, ELSD, RID, FLD
Buffer Phosphate (KH2PO4 / K2HPO4) 195 pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5 MS ✗

Detector: UV — compatibel met beide oplosmiddelen.

📚 Wetenschappelijke referenties (Chicago Author-Date)
  1. Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
  2. 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
  3. Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
  4. 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
  5. Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
  6. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
  7. 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
  8. 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
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

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

Volledige HPLC-methodegids Peer-reviewed

Molecuulspecifieke scenario's, probleemoplossing en literatuurverwijzingen

Molecular Predictor

The predicted parameters for this molecule (CAS 68-12-2) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
-1.3 min
Range: 0.5 – -1.69
confidence: medium
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
220 nm
confidence: low
Amide group → 220 nm
Concentration
0.5 mg/mL
= 6.841 mM
confidence: high
Safe linear range detektora UV (nie przekroczy 1.5 AU)
Buffer pH
2
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.

Echt chemicusprobleem

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.

Hoe wij dit oplossen

1

Exact Solvent List

Name + CAS + Grade + Role in method

2

Grade Explanations

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

3

Consumption Calculator

4

Shopping List

One-click add to cart

Interactieve calculator

Deep Education

De chemie van de mobiele fase begrijpen

Why Acetonitrile vs Methanol?
PropertyAcetonitrile (ACN)Methanol (MeOH)
Viscosity (20°C)0.37 cP0.59 cP (+59%)
Back Pressure~150 bar~210 bar (+40%)
UV Cutoff190 nm205 nm
Elution StrengthStrongerWeaker
Price (typical)115 PLN/L70 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.

1. Solwenty — ACN vs MeOH

—
Nasza (ACN)Alternatywa (MeOH)
Cena/L115 PLN70 PLN
Runtime/sample23 min32 min (+40%)
Back pressure150 bar210 bar
Solwent/sample~130 mL~180 mL
Koszt/sample~5 PLN~4.5 PLN
Czas/sample23 min32 min
Czas pracy chemika——
Total/quarter——

2. Kolumna — z guard vs bez

—
Nasza (z guard)Bez guard
Guard column200 PLN / 100 inj—
Main column lifetime2000 inj500 inj
Columns / quarter——
Guards / quarter——
Downtime wymiany (h)——
Total/quarter——

3. Method development — SOP vs scratch

—
Nasza (SOP template)Custom dev
Initial setup1 h (use template)40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)8 h24 h
Dokumentacja2 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/sample5 min23 min
Samples/8h shift——
Shifts potrzebnych——
Koszt pracy——
Savings——
Total annual savings: —

Veelgestelde vragen

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

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

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

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=73.09, CAS 68-12-2) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

Gradient Problem From The Lab

Identyfikacja unknown impurity peak

Spec limit 0.1%, you see an unknown peak at 0.15%. HRMS gives m/z 287.1123. How to proceed (MS/MS, NMR prep, synthesis)?

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 endDurationSlope (Δ%B/min)Step

Slope & Dwell Volume Test

—
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 kw − 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.

Veelgestelde vragen

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

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla N,N-dimethylformamide (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

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

Source: Snyder Seminar

Column Choice Dilemma

First method — how do you know where to start?

Widzisz HPLC z 5 tabletkami na ekranie: Method · Sequence · Sample · Diagnosis · Service. Klikasz Method — "No method loaded". Co teraz?

Recommended Columns

A

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

B

Waters XBridge C18

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

C

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

Veelgestelde vragen

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=73.09 (CAS 68-12-2) use a standard C18 100 Å column.

Source: Phenomenex Guide

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

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

Detection Gotcha

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.

DAD Settings

ParameterValueWhy
Wavelength210 nm (primary) + 254 nm (aromatic)Uniwersalne dla COOH/C=O
Bandwidth4 nmBalance of sensitivity vs selectivity
Response time0.5 sZgodne z peak width ~5 s
Reference λ360 nm, bw 100 nmKompensacja 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.

Validation Reality Check

Change control: transfer the method to a new HPLC

The old Agilent 1100 is due for replacement. New Waters Arc. How to run transfer validation without a repeat full validation?

USP <621> + ICH Q2(R1) Criteria

ParameterAcceptanceFormula
Resolution (Rs)≥ 2.02(tR2 − tR1) / (w1 + w2)
Tailing factor (Tf)≤ 1.5W0.05 / (2·f)
Plates (N)≥ 500016·(tR / w)²
RSD (6 injections)≤ 2.0%σ / μ × 100%
Linearity (R²)≥ 0.999080–120% 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 (Rs) &geq; 2.0
  • Tailing factor (Tf) &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

Veelgestelde vragen

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla N,N-dimethylformamide (CAS 68-12-2) 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

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

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

Source: USP Online

Prep Mistakes That Ruined The Run

First method — how do you know where to start?

Widzisz HPLC z 5 tabletkami na ekranie: Method · Sequence · Sample · Diagnosis · Service. Klikasz Method — "No method loaded". Co teraz?

Sample Prep Protocol

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

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 faalverhalen Geleerde lessen

Echte missers van chemici — wat er gebeurde, wat hielp, wat te vermijden.

Why am I not seeing any peaks?

Student MSc, UW 2024-10 Poziom 2/5
Wat er gebeurde:

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.

💡 Lekcja:

Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

48 godzin stracone na niewidoczne piki

Anna K., studentka 2. rok, PW 2024-11-15 Poziom 2/5
Wat er gebeurde:

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.

💡 Lekcja:

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.

Ask about this method

Hoi — ik ben getraind op alle scenario's, FAQ en literatuur voor deze methode. Vraag me 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".

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🔄 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 68-12-2). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
Propylene glycol monomethyl ether acetate (PMA)
Ta sama kategoria · Ta sama kategoria produktu
L-Lysine HCl – High
Ta sama kategoria · Ta sama kategoria produktu
2-Ethylhexanoic Acid
Ta sama kategoria · Ta sama kategoria produktu
Ethylene glycol diacetate
Ta sama kategoria · Ta sama kategoria produktu
Propyl Acetate
Ta sama kategoria · Ta sama kategoria produktu
📋 Status prawny (REACH / TSCA / UK)MolGod_REG_2
JurysdykcjaListaStatusSunset
EUREACH_XIVlisted2016-11-20
EUSVHClisted—
UKUK_SVHClisted—
📄 Analysecertificaten (CoA) CAS 68-12-2 geen MolGod_COA_2

Geen certificaten voor dit product in de database.

📚 Wetenschappelijke referenties (Chicago Author-Date) — klik om uit te klappen

Standaarden voor batchbeheer en laboratoriumcertificering — 13 onafhankelijke bronnen (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. 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
  2. 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
  3. 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
  4. 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
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. 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)
  9. 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 ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. 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
  13. 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
☣️ Toxiciteit (LD50 / LC50) GHS Cat 5 — Zeer laagMolGod_LD50_1
LD50
2800 mg/kg[1][2]
Gatunek / droga
Rat / doustnie
Klasyfikacja
Slightly toxic[3][4]
Skala GHS (Acute Toxicity, oral, mg/kg bw):
Cat 1 (≤5)
Cat 2 (5–50)
Cat 3 (50–300)
Cat 4 (300–2000)
Cat 5 (2000–5000)

Bron: RTECS LQ2100000; OECD SIDS DMF 2004 (2004). CAS 68-12-2.

LD50/LC50-gegevens zijn uitsluitend indicatief; zij vervangen niet het veiligheidsinformatieblad (SDS) noch een deskundige toxicologische beoordeling. GHS-classificatie voor de orale route (mg/kg bw) volgens UN GHS, 10e rev. 2023, Annex 1 §3.1.1.

Bibliografie (Chicago)
  1. OECD. Screening Information Data Set (SIDS) — Initial Assessment Report. UNEP Publications.
  2. NIOSH. Registry of Toxic Effects of Chemical Substances (RTECS). Cincinnati: NIOSH.
  3. United Nations. 2023. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS)." 10th rev. ed. New York: UN.
  4. Hodge, Harold C., and James H. Sterner. 1949. "Tabulation of toxicity classes." American Industrial Hygiene Association Quarterly 10 (4): 93-96.
Further sources (methodology, not cited directly):
  • U.S. EPA. 2024. "ChemView." https://chemview.epa.gov/.
  • Lipnick, Robert L., et al. 1995. "Comparison of the up-and-down, conventional LD50, and fixed-dose acute toxicity procedures." Food and Chemical Toxicology 33 (3): 223-231.
  • ATSDR. 2024. "Toxicological Profiles." Agency for Toxic Substances and Disease Registry. https://www.atsdr.cdc.gov/.
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press.
  • Lewis, Richard J. 2012. "Sax's Dangerous Properties of Industrial Materials." 12th ed. Wiley.
  • IARC. 2024. "Monographs on the Evaluation of Carcinogenic Risks to Humans." International Agency for Research on Cancer (per IARC carcinogenicity classification criteria Group 1/2A/2B).
  • Pohanish, Richard P. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." 7th ed. Elsevier.
  • Bingham, Eula, Barbara Cohrssen, and Charles H. Powell, eds. 2012. "Patty's Toxicology." 6th ed. Wiley.
  • WHO. 2023. "Recommended Classification of Pesticides by Hazard." World Health Organization (zgodne z UN GHS Annex 1 §3.1.1).
🧮 Ceny hurtowe (B2B)MolGod_BULK_1

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📜 Octrooien (openbare metadata) geen gegevens MolGod_PATENT_2

Er zijn op dit moment geen openbare octrooimetadata voor deze stof gevonden in Crossref / OpenAlex. De gegevens worden automatisch aangevuld na de volgende cacheverversing (24h).

📚 Referenties (Chicago Author-Date) — klik om uit te klappen
  1. et al.. (2026). "Redox-mediated domino electrosynthesis of N,N-dimethylformamide with industrial-relevant productivity and modularized cathodic integration.". https://doi.org/10.1038/s41467-026-71637-z
  2. et al.. (2026). "Microbial Responses and Metabolic Mechanisms During Anaerobic Degradation of N,N-Dimethylformamide by Co-Cultured Sludge.". https://doi.org/10.3390/microorganisms14061172
  3. et al.. (2026). "Bioaugmentation stabilizes high-loading anaerobic N,N-dimethylformamide removal: process stability and microbial ecological responses.". https://doi.org/10.1016/j.biortech.2026.135890
  4. et al.. (2026). "Nitrogen metabolism and microbial responses in anammox under dual stress of N,N-dimethylformamide.". https://doi.org/10.1016/j.jhazmat.2026.143019
  5. et al.. (2026). "Recent Progress of N,N-Dimethylformamide (DMF) as Versatile Synthons in Organic Synthesis.". https://doi.org/10.1007/s41061-026-00543-1
  6. et al.. (2026). "Asymmetric Dual Sites Enable Spatially Resolved Biradical-Mediated C-N Coupling for N,N-Dimethylformamide Photoelectrosynthesis.". https://doi.org/10.1002/anie.9125401
  7. et al.. (2026). "Dynamic reconstruction of hydrogen-bond networks in N,N-dimethylformamide-water system revealed by 2D correlation Raman spectroscopy.". https://doi.org/10.1063/5.0325724
  8. et al.. (2026). "Regulating the Adsorption Configuration of Intermediates to Construct C─N Bonds From CO2 for High-Efficiency N,N-Dimethylformamide Electrosynthesis.". https://doi.org/10.1002/anie.4379815
  9. (2025). "Solvation Structure and Dynamics of the Thiocyanate Anion in mixed N,N-Dimethylformamide-Water Solvents: A Molecular Dynamics Approach.". https://doi.org/10.1002/cphc.202400732
  10. et al.. (2025). "Life Cycle Assessment of Solvothermal Zeolitic Imidazolate Framework-8 Synthesis: Is the Substitution of N,N-Dimethylformamide with Glycerol Carbonate Environmentally Sustainable?". https://doi.org/10.1002/cssc.202502019
  11. et al.. (2024). "The potential health risks of N,N-dimethylformamide: An updated review.". https://doi.org/10.1002/jat.4590
  12. Wei ZH, Salami OO, Koya J et al.. (2022). "N,N-Dimethylformamide Delays LPS-Induced Preterm Birth in a Murine Model by Suppressing the Inflammatory Response.". Reproductive sciences (Thousand Oaks, Calif.). https://doi.org/10.1007/s43032-022-00924-z
  13. R. Muñoz, J.B. Montón, M.C. Burguet et al.. (2005). "Phase equilibria in the systems isobutyl alcohol+N,N-dimethylformamide, isobutyl acetate+N,N-dimethylformamide and isobutyl alcohol+isobutyl acetate+N,N-dimethylformamide at 101.3kPa". Fluid Phase Equilibria. https://doi.org/10.1016/j.fluid.2005.03.014
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📚 REFERENTIES (Verzamelde bibliografie, Chicago Author-Date) 122 items

Alle wetenschappelijke bronnen die in de accordeons hierboven voor CAS 68-12-2 worden geciteerd.Formaat: Chicago Manual of Style 17e ed., Author-Date-systeem.

🗄️ Wetenschappelijke databanken

  1. NIST. n.d. NIST Chemistry WebBook: CAS 68-12-2. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=68-12-2.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 68-12-2. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. 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.
  4. PubChem. n.d. PubChem Compound Summary: CAS 68-12-2. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=68-12-2.

📐 Standaarden / Richtlijnen

  1. 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.
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  3. 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.
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  6. 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.
  7. 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.
  8. 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.
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📖 Boeken

  1. 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.
  2. 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.
  3. 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.
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  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monografieën

  1. IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 68-12-2. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

📄 Wetenschappelijke artikelen (peer-reviewed)

  1. 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.
  2. 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.

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