chempirical

4-Chlorobenzonitrile

C7H4ClNCAS 623-03-0137.57 g/mol

Open in Covalent MOL file
NCl
Aryl halideNitrile

Properties

Molecular formula
C7H4ClN
Molar mass
137.57 g/mol
Exact mass
137.0032 Da
Melting point
95 °C
Boiling point
223 °C
logP
2.21Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
623-03-0
SMILES
N#Cc1ccc(Cl)cc1
InChIKey
GJNGXPDXRVXSEH-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H

Weigh it out

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

Names and synonyms

15 names · show all
  • Benzonitrile, 4-chloro-
  • Benzonitrile, p-chloro-
  • p-Chlorobenzonitrile
  • p-Cyanochlorobenzene
  • p-Chlorocyanobenzene
  • 1-Cyano-4-chlorobenzene
  • 4-Chlorocyanobenzene
  • 1-Chloro-4-cyanobenzene
  • 4-Chlorobenzonitril
  • 4-Cyanochlorobenzene
  • 4-Cyanophenyl chloride
  • NSC 6111
  • 4-Chlorophenyl cyanide
  • 1-Chloro-4-benzonitrile
  • 4-Chlorobenzenitrile

Work with 4-Chlorobenzonitrile

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-Dicyanobenzene623-26-767 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-657 % similar 3,5-Dichlorobenzonitrile6575-00-457 % similar Benzonitrile100-47-052 % similar 5-Chloro-2-pyridinecarbonitrile89809-64-352 % similar 4-Methylbenzonitrile104-85-850 % similar 4,4'-(1-Methylene) bis-benzonitrile10466-37-250 % similar 1,4-Dichlorobenzene106-46-750 % similar

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

Same formula

3-Chlorobenzonitrile766-84-7 2-Chlorobenzonitrile873-32-5

Elsewhere

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