chempirical

(4-Chlorophenyl)acetonitrile

C8H6ClNCAS 140-53-4151.59 g/mol

Open in Covalent MOL file
NCl
HalogenNitrile

Properties

Molecular formula
C8H6ClN
Molar mass
151.59 g/mol
Exact mass
151.0189 Da
Density
1.1968 g/mL (at 20 °C)
Melting point
30 °C
Boiling point
100–101 °C (at 1 Torr)
logP
2.41Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
140-53-4
SMILES
N#CCc1ccc(Cl)cc1
InChIKey
IVYMIRMKXZAHRV-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

Weigh it out

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

Names and synonyms

11 names
  • Benzeneacetonitrile, 4-chloro-
  • Acetonitrile, (p-chlorophenyl)-
  • 4-Chlorobenzeneacetonitrile
  • (p-Chlorophenyl)acetonitrile
  • p-Chlorobenzyl cyanide
  • 4-Chlorobenzyl cyanide
  • 2-(4-Chlorophenyl)acetonitrile
  • p-Chloro-α-cyanotoluene
  • 4-Chlorobenzyl nitrile
  • p-Chlorbenzylnitrile
  • NSC 49108

Work with (4-Chlorophenyl)acetonitrile

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 Isotope patternExact mass and the mass spectrum pattern

Same formula

3-Chlorobenzeneacetonitrile1529-41-5 5-Chloroindole17422-32-1 6-Chloroindole17422-33-2 3-Chloro-4-methylbenzonitrile21423-81-4 4-Chloroindole25235-85-2 (2-Chlorophenyl)acetonitrile2856-63-5 4-Chloro-2-methylbenzonitrile50712-68-0 7-Chloroindole53924-05-3

Elsewhere

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