Sodium chlorodifluoroacetate

C2ClF2NaO2CAS 1895-39-2152.46 g/mol

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O−OFFClNa+
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2ClF2NaO2
Molar mass
152.46 g/mol
Exact mass
151.9453 Da
logP
0.52Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1895-39-2
SMILES
[O-]C(=O)C(F)(F)Cl.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

7 names
  • Acetic acid, 2-chloro-2,2-difluoro-, sodium salt (1:1)
  • Acetic acid, chlorodifluoro-, sodium salt
  • Sodium difluorochloroacetate
  • Chlorodifluoroacetic acid sodium salt
  • 2-Chloro-2,2-difluoroacetic acid sodium salt
  • Sodium 2-chloro-2,2-difluoroacetate
  • 2-Chloro-2,2-difluoroacetate

Work with Sodium chlorodifluoroacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Chlorodifluoroacetic acid76-04-0Free acid

Similar compounds

Sodium trifluoroacetate2923-18-456 % similar Sodium trichloroacetate650-51-156 % similar Dalapon sodium127-20-850 % similar Sodium pentafluoropropionate378-77-850 % similar Sodium heptafluorobutyrate2218-54-445 % similar 1,3-Dichlorotetrafluoroacetone127-21-944 % similar Perfluorooctanoic acid sodium salt335-95-542 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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