(4-Chlorophenyl)acetic acid
Properties
- Molecular formula
- C8H7ClO2
- Molar mass
- 170.59 g/mol
- Exact mass
- 170.0135 Da
- Melting point
- 105–108 °C
- logP
- 1.97Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H312 Harmful in contact with skin55.1% of notifiers
- H315 Causes skin irritation48.7% of notifiers
- H319 Causes serious eye irritation48.7% of notifiers
- H332 Harmful if inhaled55.1% of notifiers
- H335 May cause respiratory irritation44.9% of notifiers
Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1878-66-6SMILES
O=C(O)Cc1ccc(Cl)cc1InChIKey
CDPKJZJVTHSESZ-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzeneacetic acid, 4-chloro-
- Acetic acid, (p-chlorophenyl)-
- 4-Chlorobenzeneacetic acid
- (p-Chlorophenyl)acetic acid
- 2-(p-Chlorophenyl)acetic acid
- PCPA
- 2-(4-Chlorophenyl)acetic acid
- NSC 14285
Work with (4-Chlorophenyl)acetic acid
Similar compounds
1,4-Benzenediacetic acid7325-46-475 % similar
3-(4-Chlorophenyl)propanoic acid2019-34-369 % similar
3,5-Dichlorobenzeneacetic acid51719-65-466 % similar
4-Hydroxyphenylacetic acid156-38-762 % similar
4-(Hydroxymethyl)phenylacetic acid73401-74-862 % similar
Daltroban79094-20-562 % similar
Phenylacetic acid103-82-261 % similar
4-Aminophenylacetic acid1197-55-360 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.