Potassium 2-bromo-2,2-difluoroacetate - ≥97% , CAS No.87189-16-0

CAS: 87189-16-0 Cat. No.: P304807 Molecular Weight: 213.02 PubChem CID: 23712053

GRADE & PURITY ≥97%

Synonyms

AS-63109 | F17436 | potassium,2-bromo-2,2-difluoroacetate | MFCD07784243 | A916688 | SCHEMBL4855093 | AKOS016016158 | SY128875 | Potassium2-bromo-2,2-difluoroacetate | DTXSID00635775 | Potassium bromo(difluoro)acetate | POTASSIUM BROMODIFLUOROACETATE | Ac

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AS-63109 | F17436 | potassium, 2-bromo-2, 2-difluoroacetate | MFCD07784243 | A916688 | SCHEMBL4855093 | AKOS016016158 | SY128875 | Potassium2-bromo-2, 2-difluoroacetate | DTXSID00635775 | Potassium bromo(difluoro)acetate | POTASSIUM BROMODIFLUOROACETATE | Ac

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(=O)(C(F)(F)Br)[O-].[K+]
• IUPAC Name: potassium;2-bromo-2,2-difluoroacetate
• InChIKey: IDXMRTSGPHLLSP-UHFFFAOYSA-M
• INCHI: 1S/C2HBrF2O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• Isomeric SMILES: C(=O)(C(F)(F)Br)[O-].[K+]
• PubChem CID: 23712053
• Molecular Weight: 213.02

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 potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl bromides Organic cations
• 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 - Alkyl fluoride - Organic salt - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organic cation - 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 213.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 211.869 Da
• Monoisotopic Mass: 211.869 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

XLogP3