chempirical

2,2-Dichloropropionic acid

C3H4Cl2O2CAS 75-99-0142.96 g/mol

Open in Covalent MOL file
ClClOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C3H4Cl2O2
Molar mass
142.96 g/mol
Exact mass
141.9588 Da
Density
1.4014 g/mL (at 20 °C)
Melting point
20 °C
Boiling point
190 °C
Water solubility
502 g/L (25 °C)
logP
1.26Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 607-162-00-7[1]), via PubChem.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P501

Identifiers

CAS number
75-99-0
SMILES
CC(Cl)(Cl)C(=O)O
InChIKey
NDUPDOJHUQKPAG-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)

Weigh it out

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

Names and synonyms

18 names · show all
  • Propanoic acid, 2,2-dichloro-
  • Propionic acid, 2,2-dichloro-
  • 2,2-Dichloropropanoic acid
  • Dalapon
  • α,α-Dichloropropionic acid
  • DPA
  • 2,2-DPA
  • Alatex
  • Basinex P
  • S 95
  • S 95 (Herbicide)
  • S 1315
  • α,α-Dichloropropanoic acid
  • Proprop
  • Tripon
  • Dalascam
  • NSC 56352
  • Dalapon 740

Work with 2,2-Dichloropropionic 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.

Dalapon sodium127-20-8Salt

Similar compounds

Dimethylmalonic acid595-46-050 % similar Pivalic acid75-98-950 % similar Trichloroacetic acid76-03-950 % similar 1-Methylcyclobutanecarboxylic acid32936-76-846 % similar 2,2-Bis(trifluoromethyl)propionic acid45048-36-046 % similar 2-Hydroxyisobutyric acid594-61-646 % similar 1-Methylcyclohexanecarboxylic acid1123-25-744 % similar Beta-Chloropivalic acid13511-38-144 % similar

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

Same formula

Methyl dichloroacetate116-54-1 Chloroethyl chloroformate50893-53-3 2,3-Dichloropropionic acid565-64-0 2-Chloroethyl chlorocarbonate627-11-2

Elsewhere

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