4-Bromobenzophenone
Properties
- Molecular formula
- C13H9BrO
- Molar mass
- 261.12 g/mol
- Exact mass
- 259.9837 Da
- Melting point
- 82.5 °C
- Boiling point
- 350 °C
- logP
- 3.68Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation20% of notifiers
- H319 Causes serious eye irritation20% of notifiers
- H335 May cause respiratory irritation20% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure80% of notifiers
- H411 Toxic to aquatic life with long lasting effects80% of notifiers
Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
90-90-4SMILES
O=C(c1ccccc1)c1ccc(Br)cc1InChIKey
KEOLYBMGRQYQTN-UHFFFAOYSA-NInChI
InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Methanone, (4-bromophenyl)phenyl-
- Benzophenone, 4-bromo-
- (4-Bromophenyl)phenylmethanone
- p-Bromobenzophenone
- 4-Bromophenyl phenyl ketone
- p-Benzoylbromobenzene
- 1-Benzoyl-4-bromobenzene
- Phenyl(4-bromophenyl)methanone
- NSC 59863
- 4-(Phenylcarbonyl)-1-bromobenzene
Work with 4-Bromobenzophenone
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
4-Benzoyl-4'-bromobiphenyl63242-14-888 % similar
4,4′-Dibromobenzophenone3988-03-282 % similar
1,4-Dibenzoylbenzene3016-97-573 % similar
Benzophenone119-61-968 % similar
4-Bromo-4'-chlorobenzophenone27428-57-564 % similar
Benzene,1,1'-(1,2-diphenyl-1,2-ethenediyl)bis[4-bromo-184239-35-864 % similar
1,1',1''-[2-(4-Bromophenyl)ethene-1,1,2-triyl]tribenzene34699-28-064 % similar
4-Hydroxybenzophenone1137-42-463 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.