4-Amino-3-chloro-5-methylbenzonitrile
Properties
- Molecular formula
- C8H7ClN2
- Molar mass
- 166.61 g/mol
- Exact mass
- 166.0298 Da
- logP
- 2.10Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed14.3% of notifiers
- H302 Harmful if swallowed85.7% of notifiers
- H311 Toxic in contact with skin14.3% of notifiers
- H312 Harmful in contact with skin85.7% of notifiers
- H315 Causes skin irritation14.3% of notifiers
- H319 Causes serious eye irritation14.3% of notifiers
- H331 Toxic if inhaled14.3% of notifiers
- H332 Harmful if inhaled85.7% of notifiers
- H335 May cause respiratory irritation14.3% 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
158296-69-6SMILES
CC1=CC(=CC(=C1N)Cl)C#NInChIKey
NDTNVCCDQAOBSZ-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClN2/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3H,11H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Amino-3-chloro-5-methylbenzonitrile
Similar compounds
4-Amino-3,5-dimethylbenzonitrile74896-24-572 % similar
4-Amino-3,5-dichlorobenzonitrile78473-00-472 % similar
3-Chloro-p-toluonitrile21423-81-456 % similar
2,4-Dichloro-6-methylaniline30273-00-855 % similar
4-Bromo-2-chloro-6-methylbenzenamine30273-42-851 % similar
2-Chloro-6-methylaniline87-63-848 % similar
4-Amino-3-chlorobenzonitrile21803-75-847 % similar
4-Amino-3-methylbenzonitrile78881-21-747 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.