2-Cyanobenzyl chloride

C₈H₆ClNCAS 612-13-5151.59 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₈H₆ClN
Molar mass: 151.59 g/mol
Exact mass: 151.0189 Da
Melting point: 61 °C
Boiling point: 252 °C
logP: 2.30Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

612-13-5

SMILES

N#Cc1ccccc1CCl

InChIKey

ZSHNOXOGXHXLAV-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2

Weigh it out

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

Names and synonyms

8 names

Benzonitrile, 2-(chloromethyl)-
o-Tolunitrile, α-chloro-
α-Tolunitrile, α-chloro-
2-(Chloromethyl)benzonitrile
o-Cyanobenzylchloride
o-(Chloromethyl)benzonitrile
α-Chloro-o-toluonitrile
NSC 102157

Work with 2-Cyanobenzyl chloride

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

2-Cyanobenzyl bromide22115-41-957 % similar 2-Cyanobenzeneacetonitrile3759-28-257 % similar α,Α′-Dichloro-O-xylene612-12-457 % similar Phthalonitrile91-15-652 % similar 2-Cyanobenzeneacetic acid18698-99-247 % similar 2-Chlorobenzyl chloride611-19-846 % similar 2-Chlorobenzonitrile873-32-546 % similar 2-Fluorobenzyl chloride345-35-745 % similar

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

Same formula

(4-Chlorophenyl)acetonitrile140-53-4 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

Elsewhere

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