4-Benzoylbenzoic acid
Properties
- Molecular formula
- C14H10O3
- Molar mass
- 226.23 g/mol
- Exact mass
- 226.0630 Da
- Melting point
- 199 °C
- Boiling point
- 203–204 °C (at 1 Torr)
- logP
- 2.62Crippen estimate
- Polar surface area
- 54.4 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 irritation85.7% of notifiers
Aggregated from 7 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
611-95-0SMILES
O=C(O)c1ccc(C(=O)c2ccccc2)cc1InChIKey
IFQUPKAISSPFTE-UHFFFAOYSA-NInChI
InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzoic acid, 4-benzoyl-
- Benzoic acid, p-benzoyl-
- p-Benzoylbenzoic acid
- 4-Carboxybenzophenone
- Benzophenone-4-carboxylic acid
- p-Carboxybenzophenone
- NSC 37115
Work with 4-Benzoylbenzoic acid
Similar compounds
Benzoic acid65-85-078 % similar
4-(1,2,2-Triphenyl vinyl)benzoic acid197153-87-073 % similar
1,4-Dibenzoylbenzene3016-97-570 % similar
Ammonium benzoate1863-63-469 % similar
(1,1'-Biphenyl)-4-carboxylic acid92-92-267 % similar
Terephthalic acid100-21-065 % similar
Benzophenone119-61-965 % similar
4-Phenoxybenzoic acid2215-77-262 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds