3-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
Danger
- H301 Toxic if swallowed14.3% of notifiers
- H302 Harmful if swallowed71.4% of notifiers
- H311 Toxic in contact with skin71.4% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation85.7% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H331 Toxic if inhaled14.3% of notifiers
- H332 Harmful if inhaled71.4% of notifiers
- H335 May cause respiratory irritation28.6% of notifiers
Aggregated from 7 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, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
54454-12-5SMILES
CC1=C(C=CC=C1Cl)C#NInChIKey
FKFZTNLSUJCIMG-UHFFFAOYSA-NInChI
InChI=1S/C8H6ClN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Chloro-2-methylbenzonitrile
Similar compounds
2-Chlorobenzonitrile873-32-565 % similar
2,3-Dimethylbenzonitrile5724-56-162 % similar
3-Bromo-2-methylbenzonitrile52780-15-160 % similar
2,3-Dichlorobenzonitrile6574-97-659 % similar
3-Fluoro-2-methylbenzonitrile185147-06-258 % similar
2,6-Dichlorotoluene118-69-456 % similar
2-Amino-3-chlorobenzonitrile53312-77-955 % similar
3-Chloro-2-fluorobenzonitrile94087-40-855 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.