2-Chloro-6-methylbenzonitrile

C₈H₆ClNCAS 6575-09-3151.59 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₆ClN
Molar mass: 151.59 g/mol
Exact mass: 151.0189 Da
Melting point: 83–85 °C
logP: 2.52Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled16.7% of notifiers
H301 Toxic if swallowed16.7% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H311 Toxic in contact with skin83.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H331 Toxic if inhaled16.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6575-09-3

SMILES

Cc1cccc(Cl)c1C#N

InChIKey

WQWQHJNUHQEGTN-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names

Benzonitrile, 2-chloro-6-methyl-
o-Tolunitrile, 6-chloro-
2-Cyano-3-chlorotoluene
6-Chloro-2-methylbenzonitrile
1-Cyano-2-chloro-6-methylbenzene
NSC 80657

Work with 2-Chloro-6-methylbenzonitrile

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

Similar compounds

2,6-Dimethylbenzonitrile6575-13-972 % similar 2,6-Dichlorobenzonitrile1194-65-668 % similar 2-Fluoro-6-methylbenzonitrile198633-76-058 % similar 2-Amino-6-methylbenzonitrile56043-01-758 % similar 2-Chlorotoluene95-49-858 % similar 2-Amino-6-chlorobenzonitrile6575-11-755 % similar 2-Chloro-6-fluorobenzonitrile668-45-155 % similar 2-Chloro-6-hydroxybenzonitrile89999-90-655 % 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-p-toluonitrile21423-81-4 4-Chloroindole25235-85-2 (2-Chlorophenyl)acetonitrile2856-63-5 4-Chloro-2-methylbenzonitrile50712-68-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook