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

CAS: 87081-58-1 Cat. No.: S331496 Peso molecular: 85.00 Beilstein Registry Number: 4153970(unlabeled)} Número EC: 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

Descripción general

Store at room temperature away from light and moisture.

Specifications

Sinónimos

Sodium hydrogencarbonate-13C | 13C Labeled sodium bicarbonate

Especificaciones y pureza

≥99 atom% 13C, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥99 atom% 13C, ≥98%

Propiedades del producto

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

Nombres e identificadores

• Pubchem Sid: 504769683
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769683
• Sonrisas canónicas: 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
• Isómeros SMILES: [13C](=O)(O)[O-].[Na+]
• WGK Alemania: 3
• RTECS: VZ0950000 (unlabeled)
• CAS alternativo: 144-55-8 (unlabeled)
• Peso molecular: 85.00
• Beilstein: 4153970(unlabeled)}

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (100 mg/ml). (unlabeled)
• Sensibilidad: Hygroscopic；Light sensitive
• Punto de fusión (°C): >300° C (lit.)
• Peso molecular: 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

Referencias

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]