Sodium Bromodifluoroacetate - ≥98%(HPLC) , CAS No.84349-27-9

CAS: 84349-27-9 Cat. No.: S161354 Molecular Weight: 196.91 EC Number: 689-318-4 PubChem CID: 2782418

GRADE & PURITY ≥98%(HPLC)

Synonyms

Sodium bromodifluoroacetate | AKOS006229014 | Bromodifluoroacetic acid sodium | C2BrF2NaO2 | Sodium bromo(difluoro)acetate | Sodium 2-bromo-2,2-difluoroethanoate | sodium;2-bromo-2,2-difluoroacetate | AS-58976 | SodiumBromodifluoroacetate | FT-0676909 | A

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Sodium bromodifluoroacetate | AKOS006229014 | Bromodifluoroacetic acid sodium | C2BrF2NaO2 | Sodium bromo(difluoro)acetate | Sodium 2-bromo-2, 2-difluoroethanoate | sodium;2-bromo-2, 2-difluoroacetate | AS-58976 | SodiumBromodifluoroacetate | FT-0676909 | A

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504762071
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762071
• Canonical Smiles: C(=O)(C(F)(F)Br)[O-].[Na+]
• IUPAC Name: sodium;2-bromo-2,2-difluoroacetate
• InChIKey: CAQKQIYWKXZJGD-UHFFFAOYSA-M
• INCHI: 1S/C2HBrF2O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• Isomeric SMILES: C(=O)(C(F)(F)Br)[O-].[Na+]
• PubChem CID: 2782418
• Molecular Weight: 196.91
• Reaxy-Rn: 8229431

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organobromides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Alkyl bromide - Organic salt - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Molecular Weight: 196.910 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.895 Da
• Monoisotopic Mass: 195.895 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.000
• Isotope Atom Count: 0
• 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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