2,3-Dichloropropionic acid
Properties
- Molecular formula
- C3H4Cl2O2
- Molar mass
- 142.96 g/mol
- Exact mass
- 141.9588 Da
- Melting point
- 50 °C
- Boiling point
- 210 °C
- logP
- 0.92Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed93% of notifiers
- H311 Toxic in contact with skin93% of notifiers
- H314 Causes severe skin burns and eye damage93% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, P501
Identifiers
CAS number
565-64-0SMILES
O=C(O)C(Cl)CClInChIKey
GKFWNPPZHDYVLI-UHFFFAOYSA-NInChI
InChI=1S/C3H4Cl2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Propanoic acid, 2,3-dichloro-
- Propionic acid, 2,3-dichloro-
- 2,3-Dichloropropanoic acid
- α,β-Dichloropropionic acid
- NSC 60521
Work with 2,3-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
Similar compounds
(S)-2-Chloro-N-butyric acid32653-32-058 % similar
2-Chlorobutanoic acid4170-24-558 % similar
(R)-2-Chlorosuccinic acid3972-40-556 % similar
(2S)-2-Chlorobutanedioic acid4198-33-856 % similar
(S)-2-Chloro-4-methyl-N-valeric acid28659-81-654 % similar
Chloroalanine2731-73-952 % similar
3-Chloro-L-alanine hydrochloride51887-89-947 % similar
Dichloroacetic acid79-43-646 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds