Acetyl bromide

C₂H₃BrOCAS 506-96-7122.95 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₃BrO
Molar mass: 122.95 g/mol
Exact mass: 121.9367 Da
Density: 1.52 g/mL (at 9 °C)
Melting point: −96 °C
Boiling point: 76 °C
Flash point: 110 °C (closed cup)
logP: 0.93Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

506-96-7

SMILES

CC(=O)Br

InChIKey

FXXACINHVKSMDR-UHFFFAOYSA-N

InChI

InChI=1S/C2H3BrO/c1-2(3)4/h1H3

Weigh it out

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

Names and synonyms

1 names

Acetic acid bromide

Work with Acetyl 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

Dibromo-N-methylmaleimide3005-27-432 % similar Diacetyl431-03-831 % similar Acetone67-64-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia