4-Chlorobutanoic acid
Properties
- Molecular formula
- C4H7ClO2
- Molar mass
- 122.55 g/mol
- Exact mass
- 122.0135 Da
- Density
- 1.2373 g/mL (at 20 °C)
- Melting point
- 16 °C
- Boiling point
- 114 °C (at 16 Torr)
- logP
- 1.09Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed97.6% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501
Identifiers
CAS number
627-00-9SMILES
O=C(O)CCCClInChIKey
IPLKGJHGWCVSOG-UHFFFAOYSA-NInChI
InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Butanoic acid, 4-chloro-
- Butyric acid, 4-chloro-
- 4-Chlorobutyric acid
- γ-Chlorobutyric acid
- NSC 6391
- NSC 76578
- 4-Chlorobutyrate
Work with 4-Chlorobutanoic acid
Similar compounds
5-Chloropentanoic acid1119-46-686 % similar
6-Chlorohexanoic acid4224-62-882 % similar
3-Chloropropionic acid107-94-871 % similar
Glutaric acid110-94-165 % similar
Adipic acid124-04-965 % similar
Pimelic acid111-16-062 % similar
Sebacic acid111-20-662 % similar
Azelaic acid123-99-962 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.