4-Chloro-2-methylbenzonitrile
Properties
- Molecular formula
- C8H6ClN
- Molar mass
- 151.59 g/mol
- Exact mass
- 151.0189 Da
- logP
- 2.52Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
50712-68-0SMILES
Cc1cc(Cl)ccc1C#NInChIKey
ZZAJFWXXFZTTLH-UHFFFAOYSA-NInChI
InChI=1S/C8H6ClN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzonitrile, 4-chloro-2-methyl-
- 2-Cyano-5-chlorotoluene
- 2-Methyl-4-chlorobenzonitrile
Work with 4-Chloro-2-methylbenzonitrile
Similar compounds
2,4-Dimethylbenzonitrile21789-36-660 % similar
2,4-Dichlorobenzonitrile6574-98-760 % similar
4-Fluoro-2-methylbenzonitrile147754-12-956 % similar
2-Amino-4-chlorobenzonitrile38487-86-456 % similar
2-Bromo-4-chlorobenzonitrile57381-49-456 % similar
4-Chloro-2-fluorobenzonitrile57381-51-856 % similar
4-Bromo-2-methylbenzonitrile67832-11-556 % similar
4-Chloro-2-(trifluoromethyl)benzonitrile320-41-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds