Benzoic anhydride
Properties
- Molecular formula
- C14H10O3
- Molar mass
- 226.23 g/mol
- Exact mass
- 226.0630 Da
- Melting point
- 42.5 °C
- Boiling point
- 360 °C
- logP
- 2.68Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation57.3% of notifiers
- H318 Causes serious eye damage47.9% of notifiers
- H335 May cause respiratory irritation45.8% of notifiers
Aggregated from 96 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
93-97-0SMILES
O=C(OC(=O)c1ccccc1)c1ccccc1InChIKey
CHIHQLCVLOXUJW-UHFFFAOYSA-NInChI
InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 1,1′-anhydride
- Benzoic acid, anhydride
- Benzoyl anhydride
- Benzoyl benzoate
- NSC 37116
- Bis(phenylcarbonyl)ether
Reactions
Work with Benzoic anhydride
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
Benzoyl peroxide94-36-071 % similar
Methyl benzoate93-58-363 % similar
Peroxybenzoic acid93-59-463 % similar
Phenyl benzoate93-99-263 % similar
Phthalic anhydride85-44-959 % similar
1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-456 % similar
Di-O-benzoyldiethylene glycol120-55-856 % similar
Pentaerythrityl tetrabenzoate4196-86-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds