chempirical

4-Chlorobiphenyl

C12H9ClCAS 2051-62-9188.65 g/mol

Open in Covalent MOL file
Cl
Aryl halide

Properties

Molecular formula
C12H9Cl
Molar mass
188.65 g/mol
Exact mass
188.0393 Da
Melting point
78.8 °C
Boiling point
292.9 °C
logP
4.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
2051-62-9
SMILES
Clc1ccc(-c2ccccc2)cc1
InChIKey
FPWNLURCHDRMHC-UHFFFAOYSA-N
InChI
InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 1,1′-Biphenyl, 4-chloro-
  • Biphenyl, 4-chloro-
  • 4-Chloro-1,1′-biphenyl
  • p-Chlorobiphenyl
  • 4-Chlorodiphenyl
  • 1-Chloro-4-phenylbenzene
  • PCB 3
  • 1,1′-Biphenyl-4-yl chloride
  • NSC 37066
  • 4-Biphenylyl chloride

Work with 4-Chlorobiphenyl

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′-Dichlorobiphenyl2050-68-275 % similar Chlorobenzene108-90-765 % similar Para-quaterphenyl135-70-663 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-663 % similar Terphenyl92-94-463 % similar 1,4-Dichlorobenzene106-46-756 % similar Biphenyl92-52-456 % similar 4′-Chloro[1,1′-biphenyl]-4-amine135-68-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chlorobiphenyl2051-60-7 3-Chlorobiphenyl2051-61-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook