P-Bromoacetophenone
Properties
- Molecular formula
- C8H7BrO
- Molar mass
- 199.05 g/mol
- Exact mass
- 197.9680 Da
- Melting point
- 50.5 °C
- Boiling point
- 257 °C
- logP
- 2.65Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed82.4% of notifiers
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation98% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled76.5% of notifiers
- H335 May cause respiratory irritation96.1% of notifiers
Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
99-90-1SMILES
CC(=O)c1ccc(Br)cc1InChIKey
WYECURVXVYPVAT-UHFFFAOYSA-NInChI
InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
23 names · show all
- Ethanone, 1-(4-bromophenyl)-
- Acetophenone, 4′-bromo-
- Acetophenone, p-bromo-
- 1-(4-Bromophenyl)ethanone
- 4′-Bromoacetophenone
- Methyl p-bromophenyl ketone
- p-Bromophenyl methyl ketone
- 4-Bromophenyl methyl ketone
- Methyl 4-bromophenyl ketone
- p-Acetylphenyl bromide
- p-Acetylbromobenzene
- 1-Acetyl-4-bromobenzene
- 1-(p-Bromophenyl)ethanone
- p-Bromphenyl methyl ketone
- 4-Acetylphenyl bromide
- 1-Bromo-4-acetylbenzene
- 4-Acetylbromobenzene
- NSC 17541
- 4-Acetyl-1-bromobenzene
- 4-Bromohypnone
- 4-Bromobenzene methyl ketone
- 4-Bromo-1-acetylbenzene
- 1-(4-Bromophenyl)ethan-1-one
Reactions
Work with P-Bromoacetophenone
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
1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone5731-01-188 % similar
1,4-Diacetylbenzene1009-61-671 % similar
1-(3,5-Dibromophenyl)ethanone14401-73-164 % similar
4,4'-Diacetylbiphenyl787-69-963 % similar
Piceol99-93-462 % similar
P-Methylacetophenone122-00-958 % similar
4,4'-Dibromobenzil35578-47-356 % similar
4,4′-Dibromobenzophenone3988-03-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds