Benzoyl bromide

C₇H₅BrOCAS 618-32-6185.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅BrO
Molar mass: 185.02 g/mol
Exact mass: 183.9524 Da
Melting point: −24 °C
Boiling point: 218.5 °C
logP: 2.22Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

618-32-6

SMILES

O=C(Br)c1ccccc1

InChIKey

AQIHMSVIAGNIDM-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Benzoyl bromide

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

Benzophenone119-61-952 % similar Benzil134-81-652 % similar 1,4-Dibenzoylbenzene3016-97-550 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-150 % similar 4-Bromobenzophenone90-90-450 % similar Phenacyl bromide70-11-146 % similar 1,2-Dibenzoylbenzene1159-86-046 % similar Dibenzoylmethane120-46-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromobenzaldehyde1122-91-4 3-Bromobenzaldehyde3132-99-8 2-Bromobenzaldehyde6630-33-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook