3-Chloropropionic acid
Properties
- Molecular formula
- C3H5ClO2
- Molar mass
- 108.52 g/mol
- Exact mass
- 107.9978 Da
- Density
- 1.2214 g/mL (at 20 °C)
- Melting point
- 41 °C
- Boiling point
- 200 °C
- Flash point
- 110 °C
- logP
- 0.70Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed24.1% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H341 Suspected of causing genetic defects12.1% of notifiers
Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, P501
Identifiers
CAS number
107-94-8SMILES
O=C(O)CCClInChIKey
QEYMMOKECZBKAC-UHFFFAOYSA-NInChI
InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Propanoic acid, 3-chloro-
- Propionic acid, 3-chloro-
- Propionic acid, β-chloro-
- 3-Chloropropanoic acid
- β-Chloropropionic acid
- β-Monochloropropionic acid
- NSC 174
- NSC 2183
Reactions
Work with 3-Chloropropionic 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
4-Chlorobutanoic acid627-00-971 % similar
5-Chloropentanoic acid1119-46-668 % similar
6-Chlorohexanoic acid4224-62-865 % similar
Succinic acid110-15-661 % similar
Glutaric acid110-94-155 % similar
Adipic acid124-04-955 % similar
Pimelic acid111-16-052 % similar
Sebacic acid111-20-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds