Sodium formate-D - ≥99 atom% D , CAS No.3996-15-4

CAS: 3996-15-4 Cat. No.: S341100 Fórmula: CDNaO₂ Peso molecular: 69.01 Beilstein Registry Number: 3595134 Número CE: 622-208-6

GRADE & PURITY ≥99 atom% D

Synonyms

D97993 | Sodium formate-d | Sodium;deuterioformate | Formic-D acid,sodium salt | MFCD00075589 | Formic-d acid sodium salt | SODIUM FORMATE-D1 | SODIUMFORMATE-D1 | DTXSID40583625 | Sodium formate-d, 99 atom % D | Sodium (~2~H)formate | HY-W088065S2

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

D97993 | Sodium formate-d | Sodium;deuterioformate | Formic-D acid,sodium salt | MFCD00075589 | Formic-d acid sodium salt | SODIUM FORMATE-D1 | SODIUMFORMATE-D1 | DTXSID40583625 | Sodium formate-d, 99 atom % D | Sodium (~2~H)formate | HY-W088065S2

Especificações e pureza

≥99 atom% D

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥99 atom% D

Nomes e identificadores

• Pubchem Sid: 504768172
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768172
• Sorrisos canónicos: C(=O)[O-].[Na+]
• IUPAC Name: sodium;deuterioformate
• InChIKey: HLBBKKJFGFRGMU-RWQOXAPSSA-M
• INCHI: 1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1/i1D
• SMILES isoméricas: [2H]C(=O)[O-].[Na+]
• WGK Alemanha: 3
• RTECS: LR0350000
• CAS alternativo: 141-53-7（unlabelled）
• Peso molecular: 69.01
• Beilstein: 3595134

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• 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 - Carbonyl group - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water (550 g/L) at 20° C, and glycerol (slight). (Unlabled)
• Sensibilidade: Hygroscopic；light sensitive
• Índice de refração: n20D~1.34 (Predicted) (unlabled)
• Ponto de ebulição (°C): 360° C(unlabled)
• Ponto de fusão (°C): 259-262° C (lit.)
• Peso molecular: 69.013 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 68.9937 Da
• Monoisotopic Mass: 68.9937 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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