3-Phenoxybenzoic acid
Properties
- Molecular formula
- C13H10O3
- Molar mass
- 214.22 g/mol
- Exact mass
- 214.0630 Da
- Melting point
- 149–150 °C
- logP
- 3.18Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98.6% of notifiers
- H400 Very toxic to aquatic life93.2% of notifiers
Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
3739-38-6SMILES
O=C(O)c1cccc(Oc2ccccc2)c1InChIKey
NXTDJHZGHOFSQG-UHFFFAOYSA-NInChI
InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 3-phenoxy-
- Benzoic acid, m-phenoxy-
- m-Phenoxybenzoic acid
- m-(Phenyloxy)benzoic acid
- 3-PBA
Work with 3-Phenoxybenzoic acid
Similar compounds
3-Methoxybenzoic acid586-38-967 % similar
Isophthalic acid121-91-564 % similar
[1,1′-Biphenyl]-3-carboxylic acid716-76-763 % similar
3-(Trifluoromethoxy)benzoic acid1014-81-961 % similar
3-(Difluoromethoxy)benzoic acid4837-19-861 % similar
3-Isopropoxybenzoic acid60772-67-061 % similar
3-Ethoxybenzoic acid621-51-261 % similar
3-(Acetyloxy)benzoic acid6304-89-861 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.