chempirical

3-Chlorobiphenyl

C12H9ClCAS 2051-61-8188.65 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
16 °C
Boiling point
284.5 °C
logP
4.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
2051-61-8
SMILES
Clc1cccc(-c2ccccc2)c1
InChIKey
NMWSKOLWZZWHPL-UHFFFAOYSA-N
InChI
InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

Weigh it out

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

Names and synonyms

8 names
  • 1,1′-Biphenyl, 3-chloro-
  • Biphenyl, 3-chloro-
  • 3-Chloro-1,1′-biphenyl
  • m-Chlorobiphenyl
  • 3-Chlorodiphenyl
  • 3-Monochlorobiphenyl
  • PCB 2
  • 1-Chloro-3-phenylbenzene

Work with 3-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

M-Terphenyl92-06-863 % similar 3-Bromo-3′-chloro-1,1′-biphenyl844856-42-460 % similar Chlorobenzene108-90-758 % similar 1,3-Dichlorobenzene541-73-158 % similar 4-Chloro-2-phenylpyridine57311-18-952 % similar 3-Chlorodiphenylamine101-17-750 % similar 3-Chlorotoluene108-41-850 % similar 1,3,5-Triphenylbenzene612-71-550 % similar

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

Same formula

2-Chlorobiphenyl2051-60-7 4-Chlorobiphenyl2051-62-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook