4,4′-Dichlorobiphenyl
Properties
- Molecular formula
- C12H8Cl2
- Molar mass
- 223.10 g/mol
- Exact mass
- 222.0003 Da
- Melting point
- 149.3 °C
- Boiling point
- 317 °C
- logP
- 4.66Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H373 May causes damage to organs through prolonged or repeated exposure92.9% of notifiers
- H400 Very toxic to aquatic life92.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects92.9% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P273, P319, P391, P501
Identifiers
CAS number
2050-68-2SMILES
Clc1ccc(-c2ccc(Cl)cc2)cc1InChIKey
YTBRNEUEFCNVHC-UHFFFAOYSA-NInChI
InChI=1S/C12H8Cl2/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
9 names
- 4,4'-Dichlorobiphenyl
- 1,1′-Biphenyl, 4,4′-dichloro-
- Biphenyl, 4,4′-dichloro-
- 4,4′-Dichloro-1,1′-biphenyl
- p,p′-Dichlorobiphenyl
- p,p-DCBP
- PCB 15
- NSC 1141
- 1-Chloro-4-(4-chlorophenyl)benzene
Work with 4,4′-Dichlorobiphenyl
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-Dichlorobenzene106-46-775 % similar
4-Chlorobiphenyl2051-62-975 % similar
4-Amino-4'-chlorodiphenyl135-68-267 % similar
2-Chloro-5-(4-chlorophenyl)pyrimidine27956-40-760 % similar
4,4′-Bis[(4-chlorophenyl)sulfonyl]-1,1′-biphenyl22287-56-557 % similar
4'-Chloro-4-biphenylboronic acid364044-44-057 % similar
3-Bromo-4'-chloro-1,1'-biphenyl164334-69-452 % similar
4'-Chlorobiphenyl-4-sulfonyl chloride20443-74-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds