4,4′-Dibromobiphenyl
Properties
- Molecular formula
- C12H8Br2
- Molar mass
- 312.00 g/mol
- Exact mass
- 309.8993 Da
- Melting point
- 164 °C
- Boiling point
- 357.5 °C
- logP
- 4.88Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed88.7% of notifiers
- H315 Causes skin irritation94.3% of notifiers
- H318 Causes serious eye damage86.8% of notifiers
- H335 May cause respiratory irritation94.3% of notifiers
- H351 Suspected of causing cancer81.1% of notifiers
- H400 Very toxic to aquatic life86.8% of notifiers
- H410 Very toxic to aquatic life with long lasting effects86.8% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
92-86-4SMILES
Brc1ccc(-c2ccc(Br)cc2)cc1InChIKey
HQJQYILBCQPYBI-UHFFFAOYSA-NInChI
InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 4,4'-Dibromobiphenyl
- 1,1′-Biphenyl, 4,4′-dibromo-
- Biphenyl, 4,4′-dibromo-
- 4,4′-Dibromo-1,1′-biphenyl
- 4,4′-Dibromodiphenyl
- p,p′-Dibromobiphenyl
- PBB 15
- 4′,4-Dibromobiphenyl
- NSC 2098
- 1-Bromo-4-(4-bromophenyl)benzene
Reactions
Work with 4,4′-Dibromobiphenyl
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
4,4''-Dibromo-P-terphenyl17788-94-2100 % similar
1,3,5-Tris(4-bromophenyl)benzene7511-49-180 % similar
1,4-Dibromobenzene106-37-675 % similar
4-Bromo-P-terphenyl1762-84-175 % similar
4-Bromobiphenyl92-66-075 % similar
4-Bromo-4'-hydroxybiphenyl29558-77-871 % similar
4-Bromo-4'-iodobiphenyl105946-82-567 % similar
4-(4-Bromophenyl)pyridine39795-60-367 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.