Sodium formate-¹³C - ≥99 atom% 13C , CAS No.23102-86-5

CAS: 23102-86-5 Cat. No.: S334941 Molecular Weight: 69.00 EC Number: 693-173-2

GRADE & PURITY ≥99 atom% 13C

Synonyms

sodium;oxo(113C)methanolate | J-014988 | Sodium formate-13C, 99 atom % 13C | HY-W088065S | Formate-13C (sodium) | MFCD00064569 | Sodiumformate-13C | Sodium formate-13C | Formic-13C acid sodium salt | AKOS015913260 | Sodium Formate-1-13C

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Metabolism, Metabolomics, MS/MS Standards, Synthetic Intermediates

Specifications

Synonyms

sodium;oxo(113C)methanolate | J-014988 | Sodium formate-13C, 99 atom % 13C | HY-W088065S | Formate-13C (sodium) | MFCD00064569 | Sodiumformate-13C | Sodium formate-13C | Formic-13C acid sodium salt | AKOS015913260 | Sodium Formate-1-13C

Specifications & Purity

≥99 atom% 13C

Storage

Protected from light, Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥99 atom% 13C

Names and Identifiers

• Pubchem Sid: 504768143
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768143
• Canonical Smiles: C(=O)[O-].[Na+]
• IUPAC Name: sodium;oxo(113C)methanolate
• InChIKey: HLBBKKJFGFRGMU-YTBWXGASSA-M
• INCHI: 1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/i1+1
• Isomeric SMILES: [13CH](=O)[O-].[Na+]
• WGK Germany: 3
• Alternate CAS: 141-53-7（Unlabeled）
• Molecular Weight: 69.00

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid salts
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive;Light sensitive
• Melt Point(°C): 259-262° C (lit.)
• Molecular Weight: 69.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 68.9908 Da
• Monoisotopic Mass: 68.9908 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 13.500
• 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

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