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Eapearl Chemical
Sodium bicarbonate, CAS 144-55-8 — chemical product label

Sodium bicarbonate

NaOH

CAS 144-55-8 EC 205-663-8 NaHCO3 Powder

Specification

Product NameSodium bicarbonate
Other NamesNaOH
CAS No.144-55-8
EINECS No.205-663-8
MFNaHCO3
Molecular weight84.01
Purity99%
AppearanceZhamu acid, strong acid
Density2.16 g/mL at 25 °C
Melting point851 °C
Boiling point>300°C (lit.)
flash (ing) point169.8°C

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

Packaging and shipping

Dag25kg
IBC Dag25kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Sodium bicarbonate
Sodium bicarbonate
Sodium bicarbonate
Sodium bicarbonate

Sodium bicarbonate is a safe, non-toxic and environmentally friendly white crystalline powder. With its mild alkalinity, the property of decomposing upon heating/acidification to produce gas, good solubility and buffering capacity, it has become a versatile and safe cornerstone connecting the food industry, environmental protection, personal care, fire safety, medical health and numerous industrial fields. We are committed to providing stable products, reasonable prices and professional services to meet the extensive demands of various industries for basic chemicals.

Sodium Bicarbonate (Baking Soda) - Complete range of manufacturers, providing applications in various fields such as food additives, environmental protection treatment, and scientific research.Sodium Bicarbonate (Baking Soda) - Complete range of manufacturers, providing applications in various fields such as food additives, environmental protection treatment, and scientific research.Sodium Bicarbonate (Baking Soda) - Complete range of manufacturers, providing applications in various fields such as food additives, environmental protection treatment, and scientific research.

Sodium Bicarbonate (Baking Soda) - Complete range of manufacturers, providing applications in various fields such as food additives, environmental protection treatment, and scientific research.

Product Description

Anhui Eapearl Chemical Co., Ltd. as a professional chemical supply chain service provider, relies on stable and reliable resource channels and strict quality management systems to offer customers high-quality sodium bicarbonate (commonly known as baking soda or disodium hydrogen carbonate) products and solutions ranging from food grade, pharmaceutical grade to industrial grade. Sodium bicarbonate is a safe, non-toxic, and environmentally friendly white crystalline powder. With its mild alkalinity, the ability to decompose upon heat or acid exposure to produce gas, good solubility, and buffering capacity, it becomes a versatile and safety cornerstone connecting the food industry, environmental protection, personal care, fire safety, medical health, and numerous industrial fields. We are committed to meeting the extensive demands of various industries for basic chemicals with stable products, reasonable prices, and professional services.

Food grade: Compliant with GB 1886.2-2015 “Food Additives – National Food Safety Standards”. The total alkaline content, arsenic, heavy metals, clarity and other indicators strictly meet the standards. It is a leavening agent for baked goods, a beverage, soda water, a food processing aid, a fruit and vegetable cleaning agent.

Feed grade: Compliant with national feed additive standards. As an alkalizing agent and electrolyte supplement, it regulates the pH of the rumen of animals and the fluid balance of the body.

Ruminant feed additive, water quality regulation for aquaculture.

Pharmaceutical grade: Compliant with the “Chinese Pharmacopoeia” (ChP) standards. High purity, strict impurity control. Acid-producing drugs (for neutralizing stomach acid), hemodialysis fluid, peritoneal dialysis fluid, pharmaceutical excipients.

Industrial grade: Meets the requirements of general industrial products. The total alkaline content (calculated as NaHCO₃) is usually ≥ 99.0%. Environmental neutralizing agent, industrial cleaning, chemical raw materials, fire extinguishing agent, rubber and plastic foaming. Reagent grade: Compliant with national standards for chemical reagents (analytical purity AR, chemical purity CP). Laboratory analysis, research, and teaching.

Sodium Bicarbonate (Baking Soda) - Complete range of manufacturers, providing applications in various fields such as food additives, environmental protection treatment, and scientific research.

Sodium Bicarbonate (Baking Soda) - Complete range of manufacturers, providing applications in various fields such as food additives, environmental protection treatment, and scientific research.

Delivery&Payment method

Sodium Bicarbonate (Baking Soda) - Complete range of manufacturers, providing applications in various fields such as food additives, environmental protection treatment, and scientific research.

Frequently asked

In what packaging is Sodium bicarbonate shipped?

Standard formats are Dag (25kg), IBC Dag (25kg), 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 Sodium bicarbonate?

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 Sodium bicarbonate

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🧬 3D-molecuulvisualisator
Molecuul laden...
3D-model Sodium Bicarbonate, CAS 144-55-8, molecuulformule CHNaO3, molaire massa 84.007 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 144-55-8MolGod_PROPHUB_MAIN
📊 Fysisch-chemische eigenschappen

Snel overzicht

Formule: CHNaO3
MW: 84.007 g/mol
CAS: 144-55-8
Uiterlijk: Witte, monokliene prisma's
Geur: Geurloos

Gedetailleerde eigenschappen

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

Eigenschap Waarde Eenheid Condities Bron
Brekingsindex (nD) 1.5[1] 20 °C, D-line CRC Handbook 105th ed. (2024)
🔬 Geavanceerde eigenschappen

Chemische identificatoren

SMILES: C(=O)(O)[O-].[Na+]
InChI: InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChIKey: UIIMBOGNXHQVGW-UHFFFAOYSA-M

Gegevensbronnen: CRC Handbook 105th ed. (2024) (ISBN 9781032655628)

Laatst bijgewerkt: niet bevestigd

📚 Wetenschappelijke referenties (Chicago Author-Date) (1 bronnen)
  1. Rumble, J.R., ed. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press, 2024. ↗ dotyczy: Brekingsindex (nD)
Chemisch overzicht: Sodium BicarbonateMolGod_OVERVIEW_1
MolecuulformuleCHNaO3[1]
Molecuulmassa84.007 g/mol[1]
Smeltpunt50 °C
Dichtheid2.2 g/cm³
pKa6.35
IUPAC-naamsodium hydrogen carbonate[1]
SMILESC(=O)(O)[O-].[Na+][1]
InChIKeyUIIMBOGNXHQVGW-UHFFFAOYSA-M[1]

Synoniemen: SODIUM BICARBONATE · 144-55-8 · Sodium hydrogen carbonate · Baking soda · Sodium hydrogencarbonate

Gegevensbronnen: PubChem (NLM/NIH), CRC Handbook 105th ed.
Laatst bijgewerkt: 2026-09-21

📚 Wetenschappelijke referenties (Chicago Author-Date) (1 bronnen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecuulformule · Molecuulmassa · IUPAC-naam · SMILES · InChIKey

WETENSCHAPPELIJK ONDERZOEK

[1]PubMed2026
Sodium Bicarbonate for In-Hospital Cardiac Arrest: A Randomized Clinical Trial.
Granfeldt A, Kirkegaard BL, Vallentin MF et al.. (2026). "Sodium Bicarbonate for In-Hospital Cardiac Arrest: A Randomized Clinical Trial.". JAMA. https://doi.org/10.1001/jama.2026.10628
Ga naar het volledige onderzoek ↗
[2]PubMed2025
Sodium Bicarbonate for Severe Metabolic Acidemia and Acute Kidney Injury: The BICARICU-2 Randomized Clinical Trial.
Jung B, Jabaudon M, De Jong A et al.. (2025). "Sodium Bicarbonate for Severe Metabolic Acidemia and Acute Kidney Injury: The BICARICU-2 Randomized Clinical Trial.". JAMA. https://doi.org/10.1001/jama.
Ga naar het volledige onderzoek ↗
[3]PubMed2025
Sodium bicarbonate administration for metabolic acidosis in the intensive care unit: a target trial emulation.
Blank SP, Blank RM, Laupland KB et al.. (2025). "Sodium bicarbonate administration for metabolic acidosis in the intensive care unit: a target trial emulation.". Intensive care medicine. https://doi.o
Ga naar het volledige onderzoek ↗
[4]PubMed2025
Effects of sodium bicarbonate solution on tongue coating and oral hygiene in patients with heart failure: a randomized…
Li X, Yang R, Lu M et al.. (2025). "Effects of sodium bicarbonate solution on tongue coating and oral hygiene in patients with heart failure: a randomized controlled trial.". BMC oral health. https://
Ga naar het volledige onderzoek ↗
[5]Europe PMC2024
The effects of sodium hydrogen carbonate ingestion during the recovery period between two 200-m front-crawl time trials.
(2024). "The effects of sodium hydrogen carbonate ingestion during the recovery period between two 200-m front-crawl time trials.". https://doi.org/10.1007/s00421-024-05522-2
Ga naar het volledige onderzoek ↗
[6]PubMed2024
Sodium Bicarbonate Treatment and Clinical Outcomes in Chronic Kidney Disease with Metabolic Acidosis: A Meta-Analysis.
Yang TY, Lin HM, Wang HY et al.. (2024). "Sodium Bicarbonate Treatment and Clinical Outcomes in Chronic Kidney Disease with Metabolic Acidosis: A Meta-Analysis.". Clinical journal of the American Soci
Ga naar het volledige onderzoek ↗
[7]Europe PMC2022
At-line near-infrared and Raman spectroscopy methods for determining the thermal decomposition of sodium hydrogen carbonate in a fluidized…
et al.. (2022). "At-line near-infrared and Raman spectroscopy methods for determining the thermal decomposition of sodium hydrogen carbonate in a fluidized bed process.". https://doi.org/10.1016/j.jpb
Ga naar het volledige onderzoek ↗
[8]Europe PMC2019
Concentration Dependencies of Diffusion Permeability of Anion-Exchange Membranes in Sodium Hydrogen Carbonate, Monosodium Phosphate, and Potassium Hydrogen Tartrate…
et al.. (2019). "Concentration Dependencies of Diffusion Permeability of Anion-Exchange Membranes in Sodium Hydrogen Carbonate, Monosodium Phosphate, and Potassium Hydrogen Tartrate Solutions.". https
Ga naar het volledige onderzoek ↗
📚 Wetenschappelijke referenties (Chicago Author-Date) 17 refs · 3 baz

MOLECULE Bibliografie per CAS (live uit 13+ databases)

Bronnen: db:pubmed (5) · db:Europe PMC (10) · db:crossref (3)

  1. db:pubmed Granfeldt A, Kirkegaard BL, Vallentin MF et al.. (2026). "Sodium Bicarbonate for In-Hospital Cardiac Arrest: A Randomized Clinical Trial.". JAMA. https://doi.org/10.1001/jama.2026.10628 →
  2. db:pubmed Jung B, Jabaudon M, De Jong A et al.. (2025). "Sodium Bicarbonate for Severe Metabolic Acidemia and Acute Kidney Injury: The BICARICU-2 Randomized Clinical Trial.". JAMA. https://doi.org/10.1001/jama.2025.20231 →
  3. db:pubmed Blank SP, Blank RM, Laupland KB et al.. (2025). "Sodium bicarbonate administration for metabolic acidosis in the intensive care unit: a target trial emulation.". Intensive care medicine. https://doi.org/10.1007/s00134-025-07979-x →
  4. db:pubmed Li X, Yang R, Lu M et al.. (2025). "Effects of sodium bicarbonate solution on tongue coating and oral hygiene in patients with heart failure: a randomized controlled trial.". BMC oral health. https://doi.org/10.1186/s12903-025-06836-z →
  5. db:Europe PMC (2024). "The effects of sodium hydrogen carbonate ingestion during the recovery period between two 200-m front-crawl time trials.". https://doi.org/10.1007/s00421-024-05522-2 →
  6. db:pubmed Yang TY, Lin HM, Wang HY et al.. (2024). "Sodium Bicarbonate Treatment and Clinical Outcomes in Chronic Kidney Disease with Metabolic Acidosis: A Meta-Analysis.". Clinical journal of the American Society of Nephrology : CJASN. https://doi.org/10.2215/CJN.0000000000000487 →
  7. db:Europe PMC et al.. (2022). "At-line near-infrared and Raman spectroscopy methods for determining the thermal decomposition of sodium hydrogen carbonate in a fluidized bed process.". https://doi.org/10.1016/j.jpba.2022.114918 →
  8. db:Europe PMC et al.. (2019). "Concentration Dependencies of Diffusion Permeability of Anion-Exchange Membranes in Sodium Hydrogen Carbonate, Monosodium Phosphate, and Potassium Hydrogen Tartrate Solutions.". https://doi.org/10.3390/membranes9120170 →
  9. db:Europe PMC et al.. (2018). "Peer review of the pesticide risk assessment of the active substance sodium hydrogen carbonate.". https://doi.org/10.2903/j.efsa.2018.5407 →
  10. db:crossref Daniel Nelson. (2018). "What Is Sodium Hydrogen Carbonate?". Science Trends. https://doi.org/10.31988/scitrends.9818 →
  11. db:Europe PMC et al.. (2016). "Clinical findings and effect of sodium hydrogen carbonate in patients with glutathione synthetase deficiency.". https://doi.org/10.1515/jpem-2015-0308 →
  12. db:Europe PMC et al.. (2010). "Determination of L-ascorbic acid in human serum by chemiluminescence based on hydrogen peroxide-sodium hydrogen carbonate-CdSe/CdS quantum dots system.". https://doi.org/10.1016/j.talanta.2010.03.024 →
  13. db:Europe PMC et al.. (2007). "Hydrothermal reactions from sodium hydrogen carbonate to phenol.". https://doi.org/10.1021/ol070597o →
  14. db:Europe PMC et al.. (2006). "Stability of amphotericin B and nystatin in antifungal mouthrinses containing sodium hydrogen carbonate.". https://doi.org/10.1016/j.jpba.2006.04.011 →
  15. db:Europe PMC (1976). "[Age dependent differences in toxicity of sodium hydrogen carbonate and ammonium chloride in rats].".
  16. db:crossref (0). "Hydrothermal Reactions from Sodium Hydrogen Carbonate to Phenol". https://doi.org/10.1021/ol070597o.s001 →
  17. db:crossref (0). "Chemicals used for treatment of swimming pool water. Sodium hydrogen carbonate". https://doi.org/10.3403/30267843 →
Regelgevingsstatus van de stof
Geen vermeldingen voor dit CAS in de gecontroleerde beperkingslijsten (SVHC-kandidatenlijst, REACH bijlage XVII; datasets onvolledig - dit is geen bevestiging van conformiteit). CLP-classificatie en transportstatus (ADR): zie de GHS-sectie en het veiligheidsinformatieblad (SDS).
🧮 StoichiometrierekenmachineMolGod_STOICH_1
🧪 Chemische gegevensMolGod_CHEMDATA_1
CAS-nummer
144-55-8
Molecuulformule
CHNaO3
Molaire massa
84.007 g/mol
IUPAC-naam (EN)
sodium hydrogen carbonate
SMILES
C(=O)(O)[O-].[Na+]
InChIKey
UIIMBOGNXHQVGW-UHFFFAOYSA-M
📚 Scientific literature (10 articles)MolGod_LITSCI_1
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📡 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
Density
2.18

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

🔍 Externe identificatorenMolGod_EXTID_1
15 van 16 ID-systemen94%
DatabaseIdentificatorActies
CAS Registry Number144-55-8Openen →
PubChem CID516892[1]Openen →
InChIKeyUIIMBOGNXHQVGW-UHFFFAOYSA-M[1]Openen →
InChIInChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-…[1]
SMILESC(=O)(O)[O-].[Na+][1]
EC Number205-633-8[2]Openen →
ChEMBLCHEMBL1353[3]Openen →
DrugBankDB01390Openen →
KEGG CompoundD01203Openen →
HMDBHMDB0303541Openen →
ChemSpider8609[4]Openen →
MeSH UID (NLM)D017693Openen →
UNII (FDA)8MDF5V39QOOpenen →
NSC Number (NCI)134031Openen →
WikiData QIDQ179731Openen →

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

Dalsza literatura

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

Bibliografie (uitgebreid) (2)

  1. ★★★★☆ CANONICAL_PAPERS 💰 Betaalmuur (waarschijnlijk) ✓ geverifieerd Roberts, D.G.; Ovenden, S.. 2002. "Cooking with sodium bicarbonate: leavening chemistry." Journal of Chemical Education. link [geraadpleegd: 2026-11-07]
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "sodium bicarbonate with sodium chloride.". https://doi.org/10.18578/bnf.704764965. link [geraadpleegd: 2026-09-21]
📡 Spectroscopie — CAS 144-55-8MolGod_SPECHUB_MAIN
📊 Spectra (NMR, IR, MS, UV-Vis) (1)

Beschikbare spectrumtypen: IR

IR-spectrum (KBr, 4000-400 cm⁻¹)

454 datapunten · Bron: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 Gids voor spectruminterpretatie (voor studenten)
Hoe lees je een IR-spectrum
  • 3200-3600 cm⁻¹ — O-H-rekvibratie (brede piek = waterstofbrug)
  • 2850-3000 cm⁻¹ — C-H-rekvibratie (sp³)
  • 1650-1750 cm⁻¹ — C=O-rekvibratie (ketonen, aldehyden, esters)
  • 1400-1600 cm⁻¹ — trillingen van de aromatische ring
  • 1000-1300 cm⁻¹ — C-O-rekvibratie (ethers, alcoholen)
  • Geen absorptie = geen functionele groep → vergelijk met een referentie

Bronnen: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Wetenschappelijke referenties (Chicago Author-Date) (7 bronnen)
  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
Structurele eigenschappenMolGod_STRUCT3D_1

Structurele gegevens worden geladen...

❓ Veelgestelde vragen (3)MolGod_FAQ_1
What is 144-55-8?
144-55-8 (CAS 144-55-8) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Nuttig?
What is the CAS number of 144-55-8?
The CAS number for 144-55-8 is 144-55-8. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Nuttig?
How should 144-55-8 be stored?
144-55-8 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: 516892

🔄 Omrekenaar voor concentratie-eenheden LIVE MolGod_UNITCONV_1

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

MW: 84.007 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 144-55-8MolGod_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.

Geen geharmoniseerde GHS-indeling voor deze stof — zie het actuele veiligheidsinformatieblad (SDS) van de leverancier.

📚 Geconsolideerde wetenschappelijke referenties — Chicago Author-Date 10 bronnen

Referenties verzameld uit alle tabbladen van de Safety Hub. CAS: 144-55-8 · 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

Lek zatwierdzony (Faza 4)

Fase I
Fase II
Fase III
Goedgekeurd

Toegelaten voor het in de handel brengen door de regelgevende autoriteiten.

ChEMBL CHEMBL1353 ↗

Bibliografie (uitgebreid) (1)

  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "sodium bicarbonate with sodium chloride.". https://doi.org/10.18578/bnf.704764965. link [geraadpleegd: 2026-09-21]
📅 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
Sodium Bicarbonate
Formule
CHNaO3
logP (XLogP3)
—
Massa (g/mol)
84.007
Polariteit
—

⚠️ Ionische / anorganische verbinding — de Hansen-parameters (δD/δP/δH) zijn niet van toepassing: het oplossen wordt bepaald door de kristalroosterenergie en de solvatatie van ionen, niet door moleculaire cohesie. Het HSP-blok en de Hansen-bol zijn weggelaten. HSP-afhankelijke kolommen (Compat./Ra/Visueel) zijn gemarkeerd met „n.v.t." — baseer de keuze van het oplosmiddel op experimentele gegevens.

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

Oplosmiddel Compat. Ra Visueel GC-MS HPLC Toepassingen Referenties
Water (H₂O)n/d—niet van toepassing✗ NieA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)n/d—niet van toepassing✗ NieA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)n/d—niet van toepassing✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetonen/d—niet van toepassing✗ NieB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)n/d—niet van toepassing✗ NieB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSOn/d—niet van toepassing✗ NieN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THFn/d—niet van toepassing✗ NieB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)n/d—niet van toepassing✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)n/d—niet van toepassing✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexanen/d—niet van toepassing✓ TakA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluenen/d—niet van toepassing✓ 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 144-55-8 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

Controleer of Sodium Bicarbonate 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
Natriumbicarbonaat• Sodium bicarbonate / Baking soda• IUPAC: sodium hydrogen carbonate• CAS: 144-55-8• EC: 205-633-8• Formule: CHNaO3• Massa: 84.007 g/molAnhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
Deskryptory Lipinskiego (struktura)
ADMET-voorspellingen worden geladen…
🧪 Assistent voor bereiding van oplossingen (Smart Prep) MolGod_PREP_2

Voer in wat u wilt bereiden — ik genereer een SOP

Voorbeelden hieronder — klik om in te voegen:
Voorgedefinieerde recepten:
📚 Overzicht van de wetenschappelijke literatuur — CAS 144-55-8MolGod_LITHUB_MAIN
⭐ Belangrijkste bevindingen (wetenschappelijke literatuur) 15 publicaties
🏆 CAS 144-55-8 — multi-criteria ranking (W12): 30% citaties · 20% recentheid · 20% onderwerp · 15% historisch · 15% open access.
  1. #1
    Jaber, S.; Paugam, C.; Futier, E.; Lefrant, J.Y.; Lasocki, S. et al. (BICAR-ICU) (2018) · The Lancet
    Waarom het belangrijk is: Verplicht citaat (canon) · 480 citations
    SCORE 10.45 Farmacologie MUST-CITE Citations: 480 DOI ↗
  2. #2
    et al. (2022) · Journal of Pharmaceutical and Biomedical Analysis
    Waarom het belangrijk is: Open access
    SCORE 10.06 Analytiek Citations: 3 Open Access DOI ↗ PubMed ↗
  3. #3
    Forsythe, S.M.; Schmidt, G.A. (2013) · Chest
    Waarom het belangrijk is: Verplicht citaat (canon) · 340 citations · overzichtsartikel
    SCORE 8.5 Overzicht MUST-CITE Citations: 340 DOI ↗
  4. #4
    et al. (2019) · Membranes
    Waarom het belangrijk is: Open access
    SCORE 8.07 Mechanisme Citations: 10 Open Access DOI ↗ PubMed ↗
  5. #5
    Roberts, D.G.; Ovenden, S. (2002) · Journal of Chemical Education
    Waarom het belangrijk is: Verplicht citaat (canon)
    SCORE 6.53 Mechanisme MUST-CITE Citations: 80 DOI ↗
  6. #6
    et al. (2010) · Talanta
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 6.44 Analytiek Citations: 75 DOI ↗ PubMed ↗
  7. #7
    Yang TY, Lin HM, Wang HY et al. (2024) · Clinical journal of the American Society of Nephrology : CJASN
    Waarom het belangrijk is: Recent (2024) · meta-analyse · open access
    SCORE 6.25 Overzicht Open Access DOI ↗ PubMed ↗
  8. #8
    Jung B, Jabaudon M, De Jong A et al. (2025) · JAMA
    Waarom het belangrijk is: Recent (2025) · open access
    SCORE 6.25 Farmacologie Open Access DOI ↗ PubMed ↗
  9. #9
    Granfeldt A, Kirkegaard BL, Vallentin MF et al. (2026) · JAMA
    Waarom het belangrijk is: Recent (2026) · open access
    SCORE 6.25 Farmacologie Open Access DOI ↗ PubMed ↗
  10. #10
    Blank SP, Blank RM, Laupland KB et al. (2025) · Intensive care medicine
    Waarom het belangrijk is: Recent (2025) · open access
    SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
  11. #11
    Li X, Yang R, Lu M et al. (2025) · BMC oral health
    Waarom het belangrijk is: Recent (2025) · open access
    SCORE 6.25 Farmacologie Open Access DOI ↗ PubMed ↗
  12. #12
    et al. (2016) · Journal of Pediatric Endocrinology and Metabolism
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 5.31 Farmacologie Citations: 7 DOI ↗ PubMed ↗
  13. #13
    et al. (2007) · Organic Letters
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 3.24 Mechanisme Citations: 11 DOI ↗ PubMed ↗
  14. #14
    (1976)
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 0 Farmacologie PubMed ↗
  15. #15
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 0 Mechanisme DOI ↗
🔬 HPLC — methoden en parameters — CAS 144-55-8MolGod_HPLCHUB_MAIN
🧪 System Suitability — live calculator (USP <621>)

Voer gegevens van 5-6 injecties in (areas, tr, tailing, plates) — de calculator berekent %RSD, gemiddelden en controleert de conformiteit met USP <621>. Je kunt CSV plakken (door komma's gescheiden) of afzonderlijke waarden bewerken.

📚 Referenties (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
  3. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
📊 Validatie van de HPLC-methode (ICH Q2(R1)) PARTIAL

3 of 3 critical metrics need experimental data

Parameter Waarde Eenheid ICH Q2-criterium Status
Lineariteit (R²) geen gegevens unitless R² ≥ 0.999 (≥0.99 voor bioanalytische methoden) —
LOD (S/N = 3:1) geen gegevens ng/mL S/N ≥ 3:1 (laagste detecteerbare concentratie) —
LOQ (S/N = 10:1) geen gegevens ng/mL S/N ≥ 10:1 (LOQ ≥ 3×LOD doorgaans) —
Precisie (RSD intraday, n=6) geen gegevens % RSD RSD ≤ 2% (intraday) / ≤ 3% (interday) voor de API —
Juistheid (recovery, 3 niveaus) geen gegevens % (target 100±2%) Recovery 98-102% (target 100%) —
Lineariteitsbereik geen gegevens bijv. 0.1-100 ng/mL Min. 80-120% van de nominale concentratie —
Selectiviteit/Specificiteit geen gegevens qualitative Geen interferentie — analytpiek volledig gescheiden (Rs ≥ 2.0) —
Robuustheid (robustness) geen gegevens RSD < 2% bij ±5% variatie RSD < 2% bij kleine parametervariaties —
Legend: ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 Wetenschappelijke referenties (Chicago Author-Date) — klik om uit te klappen

Standaarden voor validatie van analytische methoden — 4 onafhankelijke bronnen (ICH + USP + AOAC + Snyder).

  1. International Conference on Harmonisation (ICH). 2005. Validation of Analytical Procedures: Text and Methodology Q2(R1). ICH Expert Working Group. [link ↗] — Gold-standard ICH guideline — accepted by EMA, FDA, MHLW, NMPA
  2. United States Pharmacopeia (USP) Convention. 2024. USP General Chapter <621> Chromatography. USP-NF 2024 ed. USP. [link ↗]
  3. AOAC International. 2016. Appendix F: Guidelines for Standard Method Performance Requirements. AOAC INTERNATIONAL. [link ↗] — AOAC SMPR — alternative to ICH Q2 for food/dietary supplements
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Industry standard textbook — Chapter 11 covers method validation
  5. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Classic method-development reference (DryLab heritage).
  6. Rozet, Eric, et al.. 2013. Analysis of recent pharmaceutical regulatory documents on analytical method validation. https://doi.org/10.1016/j.chroma.2007.03.111 [link ↗] — Comparison of FDA / EMA / ICH validation expectations — used for ICH Q2(R1) interpretation.
  7. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — Plackett-Burman design for robustness — basis of ICH Q2 §3.7.
  8. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Modern (UHPLC) update of validation chapter — practical RSD/LOD examples.
  9. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — European pharmacopeial perspective — complements USP/AOAC.
  10. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. HPLC for Pharmaceutical Scientists. Wiley-Interscience. ISBN 978-0-471-68162-4. https://doi.org/10.1002/9780470087954 [link ↗] — Pharma-focused validation case studies (specificity, robustness).
  11. European Medicines Agency (EMA). 2011. Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009. EMA Committee for Medicinal Products for Human Use. [link ↗] — EMA bioanalytical companion to ICH Q2(R1) for clinical samples.

· ⚠ Regelgevende waarschuwingen SVHC/REACH ↑

📐 HPLC-pieksymmetriecalculator (USP Tf / As)

Bereken de USP-tailingfactor (Tf) en de asymmetrie (As) uit de piekhalfbreedtes. Voer a (linker halfbreedte) en b (rechter halfbreedte) in, gemeten op 5% of 10% van de piekhoogte.

📚 Referenties (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
  3. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
📊 Calculator voor resolutie en schotelgetal (Rs, N, H)

Bereken de resolutie Rs, het aantal theoretische schotels N en de HETP (H) voor een paar HPLC-pieken. Voer de retentietijden, piekbreedtes (op 50% of aan de basis) en de kolomlengte in.

📚 Referenties (Chicago Author-Date)
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2 covers resolution, plate count and HETP fundamentals (Snyder et al. 2010).
  2. USP General Chapter <621>. 2024. "Chromatography." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines Rs >= 1.5 acceptance criterion and N calculation methods.
  3. Dolan, John W.. 2003. "How much resolution is enough?." LCGC North America 21: 350-353 [link ↗] — Practical guidance on Rs targets for routine method development.
  4. 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 [link ↗] — Origin of N = 5.54·(tr/w0.5)² half-height plate count formulation.
  5. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker. ISBN 978-0-8247-1357-7. — Resolution equation Rs = (1/4)·√N·(α-1)/α·k/(1+k) (master equation).
  6. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Skewed-peak corrections to apparent N.
  7. 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 [link ↗]
  8. 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 [link ↗]
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗]
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.

Volledige HPLC-methodegids Peer-reviewed

Molecuulspecifieke scenario's, probleemoplossing en literatuurverwijzingen

Molecular Predictor

The predicted parameters for this molecule (CAS 144-55-8) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
1.2 min
Range: 0.84 – 1.56
confidence: low
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
210 nm
confidence: medium
No strong chromophore detected → 210 nm uniwersalne
Concentration
0.5 mg/mL
= 5.952 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

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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

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=84.007, CAS 144-55-8) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

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

Gradient Problem From The Lab

Selectivity by changing the buffer

You have 3 critical peak pairs. Phosphate pH 3 gives Rs=1.4. You need to reach 2.0. Change the pH or the buffer type?

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

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

Source: Snyder Seminar

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla sodium hydrogen carbonate (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

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

Column Choice Dilemma

First gradient — what to do step by step

You click Method Editor and see 10 empty time/%B rows. Where to start? How many points to enter?

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: analyty MW10000 (białka) → pore 1000 Å. Dla MW=84.007 (CAS 144-55-8) użyj standardowej kolumny C18 100 Å.

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

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

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

DAD Settings

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

Koszt solwentu per batch — optymalizacja

Release testing 50 batches/month × 23 min × 1 mL/min = 29 L ACN/m. Price 115 PLN/L = 3300 PLN/m. How to cut it by 30% without compromise?

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

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

Source: USP Online

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

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla sodium hydrogen carbonate (CAS 144-55-8) 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

Prep Mistakes That Ruined The Run

Why am I not seeing any peaks?

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.
Lesson learned (Student MSc, UW, 2024-10):
Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

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.

10 columns in 2 months — wrong filter

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

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

💡 Lekcja:

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

Incorrect integration — publication rejected

Kasia M., PhD Analytical Chemistry, UJ 2025-06-03 Poziom 4/5
Wat er gebeurde:

Submission to JPBA. Reviewer 2: „Peak at 12.4 min shows manual integration, but baseline slope suggests co-elution". I had to revalidate the whole method. 3 months of delay.

💡 Lekcja:

Manual integration = a red flag for reviewers. Solve CO-ELUTION in methods dev, not in integration. Optimise the gradient instead of force-fitting the peak.

Ask about this method

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

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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 144-55-8). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
L-Cystine
Ta sama kategoria · Ta sama kategoria produktu
L-Lysine
Ta sama kategoria · Ta sama kategoria produktu
L-Methionine
Ta sama kategoria · Ta sama kategoria produktu
L-Proline
Ta sama kategoria · Ta sama kategoria produktu
L-Serine
Ta sama kategoria · Ta sama kategoria produktu
📄 Analysecertificaten (CoA) CAS 144-55-8 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
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📚 Referenties (Chicago Author-Date) — klik om uit te klappen
  1. Granfeldt A, Kirkegaard BL, Vallentin MF et al.. (2026). "Sodium Bicarbonate for In-Hospital Cardiac Arrest: A Randomized Clinical Trial.". JAMA. https://doi.org/10.1001/jama.2026.10628
  2. Jung B, Jabaudon M, De Jong A et al.. (2025). "Sodium Bicarbonate for Severe Metabolic Acidemia and Acute Kidney Injury: The BICARICU-2 Randomized Clinical Trial.". JAMA. https://doi.org/10.1001/jama.2025.20231
  3. Blank SP, Blank RM, Laupland KB et al.. (2025). "Sodium bicarbonate administration for metabolic acidosis in the intensive care unit: a target trial emulation.". Intensive care medicine. https://doi.org/10.1007/s00134-025-07979-x
  4. Li X, Yang R, Lu M et al.. (2025). "Effects of sodium bicarbonate solution on tongue coating and oral hygiene in patients with heart failure: a randomized controlled trial.". BMC oral health. https://doi.org/10.1186/s12903-025-06836-z
  5. (2024). "The effects of sodium hydrogen carbonate ingestion during the recovery period between two 200-m front-crawl time trials.". https://doi.org/10.1007/s00421-024-05522-2
  6. Yang TY, Lin HM, Wang HY et al.. (2024). "Sodium Bicarbonate Treatment and Clinical Outcomes in Chronic Kidney Disease with Metabolic Acidosis: A Meta-Analysis.". Clinical journal of the American Society of Nephrology : CJASN. https://doi.org/10.2215/CJN.0000000000000487
  7. et al.. (2022). "At-line near-infrared and Raman spectroscopy methods for determining the thermal decomposition of sodium hydrogen carbonate in a fluidized bed process.". https://doi.org/10.1016/j.jpba.2022.114918
  8. et al.. (2019). "Concentration Dependencies of Diffusion Permeability of Anion-Exchange Membranes in Sodium Hydrogen Carbonate, Monosodium Phosphate, and Potassium Hydrogen Tartrate Solutions.". https://doi.org/10.3390/membranes9120170
  9. et al.. (2018). "Peer review of the pesticide risk assessment of the active substance sodium hydrogen carbonate.". https://doi.org/10.2903/j.efsa.2018.5407
  10. Daniel Nelson. (2018). "What Is Sodium Hydrogen Carbonate?". Science Trends. https://doi.org/10.31988/scitrends.9818
  11. et al.. (2016). "Clinical findings and effect of sodium hydrogen carbonate in patients with glutathione synthetase deficiency.". https://doi.org/10.1515/jpem-2015-0308
  12. et al.. (2010). "Determination of L-ascorbic acid in human serum by chemiluminescence based on hydrogen peroxide-sodium hydrogen carbonate-CdSe/CdS quantum dots system.". https://doi.org/10.1016/j.talanta.2010.03.024
  13. et al.. (2007). "Hydrothermal reactions from sodium hydrogen carbonate to phenol.". https://doi.org/10.1021/ol070597o
  14. et al.. (2006). "Stability of amphotericin B and nystatin in antifungal mouthrinses containing sodium hydrogen carbonate.". https://doi.org/10.1016/j.jpba.2006.04.011
  15. (1976). "[Age dependent differences in toxicity of sodium hydrogen carbonate and ammonium chloride in rats].".
  16. (0). "Hydrothermal Reactions from Sodium Hydrogen Carbonate to Phenol". https://doi.org/10.1021/ol070597o.s001
  17. (0). "Chemicals used for treatment of swimming pool water. Sodium hydrogen carbonate". https://doi.org/10.3403/30267843
  18. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  19. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  20. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  21. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  22. 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.
  23. 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.
  24. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  25. 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.
  26. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  27. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  28. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  29. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

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  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "sodium bicarbonate with sodium chloride.". https://doi.org/10.18578/bnf.704764965. link [geraadpleegd: 2026-09-21]
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📚 REFERENTIES (Verzamelde bibliografie, Chicago Author-Date) 121 items

Alle wetenschappelijke bronnen die in de accordeons hierboven voor CAS 144-55-8 worden geciteerd.Formaat: Chicago Manual of Style 17e ed., Author-Date-systeem.

🗄️ Wetenschappelijke databanken

  1. NIST. n.d. NIST Chemistry WebBook: CAS 144-55-8. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=144-55-8.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 144-55-8. 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 144-55-8. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=144-55-8.

📐 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.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  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.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  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.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Boeken

  1. Rumble, John R., ed. 2024. CRC Handbook of Chemistry and Physics: 105th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
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  3. 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.
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  6. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 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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