chempirical

Chlorodifluoroacetic acid

C2HClF2O2CAS 76-04-0130.47 g/mol

Open in Covalent MOL file
OHOFFCl
Alkyl halideCarboxylic acid

Properties

Molecular formula
C2HClF2O2
Molar mass
130.47 g/mol
Exact mass
129.9633 Da
Melting point
25 °C
Boiling point
122 °C
logP
0.90Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
76-04-0
SMILES
O=C(O)C(F)(F)Cl
InChIKey
OAWAZQITIZDJRB-UHFFFAOYSA-N
InChI
InChI=1S/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Acetic acid, 2-chloro-2,2-difluoro-
  • Acetic acid, chlorodifluoro-
  • 2-Chloro-2,2-difluoroacetic acid
  • Monochlorodifluoroacetic acid
  • NSC 60298
  • 2,2-Difluoro-2-chloroacetic acid

Work with Chlorodifluoroacetic acid

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

Sodium chlorodifluoroacetate1895-39-2Salt

Similar compounds

1,3-Dichlorotetrafluoroacetone127-21-950 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-850 % similar 3-Chloro-2,2,3,3-tetrafluoropropanoic acid661-82-550 % similar Trichloroacetic acid76-03-950 % similar Trifluoroacetic acid76-05-150 % similar 2-Chloro-2,2-difluoroacetyl chloride354-24-548 % similar 1-Fluoro-cyclopropanecarboxylic acid137081-41-544 % similar Chlorodifluoroacetic anhydride2834-23-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook