Sodium bicarbonate-(¹³C) - ≥99 atom% 13C,≥98% , CAS No.87081-58-1

CAS: 87081-58-1 Cat. No.: S331496 Summenformel: NaH(¹³C)O₃ Molekulargewicht: 85.00 Beilstein Registry Number: 4153970(unlabeled)} EG-Nummer: 205-633-8(unlabeled)

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

Sodium hydrogencarbonate-13C | 13C Labeled sodium bicarbonate

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

Store at room temperature away from light and moisture.

Specifications

Synonyme

Sodium hydrogencarbonate-13C | 13C Labeled sodium bicarbonate

Spezifikationen & Reinheit

≥99 atom% 13C,≥98%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99 atom% 13C,≥98%

Produkteigenschaften

• pKa: pKₐ: 6.37 in carbonic acid, pKₐ: 10.25 in carbonic acid (unlabeled)

Namen und Kennungen

• Pubchem Sid: 504769683
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769683
• Kanonisches Lächeln: C(=O)(O)[O-].[Na+]
• IUPAC Name: sodium;hydroxyformate
• InChIKey: UIIMBOGNXHQVGW-YTBWXGASSA-M
• INCHI: 1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1/i1+1
• Isomere SMILES: [13C](=O)(O)[O-].[Na+]
• WGK Deutschland: 3
• RTECS: VZ0950000 (unlabeled)
• Alternative CAS-Nummer: 144-55-8 (unlabeled)
• Molekulargewicht: 85.00
• Beilstein: 4153970(unlabeled)}

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic carbonic acids and derivatives
      • Subclass Organic carbonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic carbonic acids and derivatives
• Subclass: Organic carbonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids
• Alternative Parents: Carbonate salts Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonate salt - Carbonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (100 mg/ml). (unlabeled)
• Empfindlichkeit: Hygroscopic；Light sensitive
• Schmelzpunkt (°C): >300° C (lit.)
• Molekulargewicht: 84.999 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 84.9857 Da
• Monoisotopic Mass: 84.9857 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 33.900
• Isotope Atom Count: 1
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Referenzen

1. Qixian xie, Bowen Guo, Yichen Zhang, Tianze Yang, Chenfang Cui, Zhengliang Liu, Honglin Yao, Baili Li, Wurong Ren.  (2026)  Dual Mode in situ Monitoring of CO2 Conversion via pH indicator and UV Vis Spectroscopy.  iScience,      [PMID:41858897] [10.1016/j.isci.2026.115158]

2. Zhang Lu, Zhan Ji, Guo Junhui, Lin Tianqi, Yang Wei, Liu Guohong, Liu Zhiying, Liu Xing, Zhou Shungui.  (2026)  In Situ Single-Cell Raman Isotope Analysis Quantifies Cell-to-Cell Metabolic Heterogeneity within Individual Cable Bacteria Filaments in Sediments.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,  60  (31): (21674-21684).  [PMID:42418686] [10.1021/acs.est.5c18921]

3. Boyang Zhang, Zhiyong Zhang, Yangfan Li, Yangqi Wei, Xingmiao Huang, Chuncheng Chen, Hua Sheng, Jincai Zhao.  (2026)  Spatial confinement enables CO2 activation via a molecular redox mediator for multicarbon electrosynthesis.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2026.127286]

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What is the purity of this product?

This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 87081-58-1, the molecular formula is NaH(13C)O3, and the molecular weight is 85.00 g/mol. InChIKey UIIMBOGNXHQVGW-YTBWXGASSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.