4,4′-Dibromobenzophenone
Properties
- Molecular formula
- C13H8Br2O
- Molar mass
- 340.01 g/mol
- Exact mass
- 337.8942 Da
- Melting point
- 177 °C
- Boiling point
- 395 °C
- logP
- 4.44Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 6 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3988-03-2SMILES
O=C(c1ccc(Br)cc1)c1ccc(Br)cc1InChIKey
LFABNOYDEODDFX-UHFFFAOYSA-NInChI
InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 4,4'-Dibromobenzophenone
- Methanone, bis(4-bromophenyl)-
- Benzophenone, 4,4′-dibromo-
- Bis(4-bromophenyl)methanone
- p,p′-Dibromobenzophenone
- Bis(p-bromophenyl) ketone
- Bis(4-bromophenyl) ketone
- NSC 86518
Work with 4,4′-Dibromobenzophenone
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-Bromobenzophenone90-90-482 % similar
4-Bromo-4'-chlorobenzophenone27428-57-575 % similar
4-Benzoyl-4'-bromobiphenyl63242-14-872 % similar
4-Bromo-4'-methoxybenzophenone54118-75-167 % similar
4,4'-Dibromobenzil35578-47-364 % similar
4-Bromobenzamide698-67-958 % similar
1,1,2,2-Tetrakis(4-bromophenyl)ethene61326-44-157 % similar
2-Amino-4'-bromobenzophenone1140-17-657 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.