4-Amino-3-methylbenzonitrile
Properties
- Molecular formula
- C8H8N2
- Molar mass
- 132.17 g/mol
- Exact mass
- 132.0687 Da
- logP
- 1.45Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed28.6% of notifiers
- H302 Harmful if swallowed71.4% of notifiers
- H311 Toxic in contact with skin14.3% of notifiers
- H312 Harmful in contact with skin71.4% of notifiers
- H315 Causes skin irritation85.7% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H332 Harmful if inhaled71.4% of notifiers
- H335 May cause respiratory irritation71.4% 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
78881-21-7SMILES
CC1=C(C=CC(=C1)C#N)NInChIKey
MBZDCUMFFPWLTJ-UHFFFAOYSA-NInChI
InChI=1S/C8H8N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Amino-3-methylbenzonitrile
Similar compounds
3-Amino-4-methylbenzonitrile60710-80-772 % similar
3,4-Diaminobenzonitrile17626-40-364 % similar
3,4-Dimethylbenzonitrile22884-95-364 % similar
4-Amino-3,5-dimethylbenzonitrile74896-24-557 % similar
4-Fluoro-3-methylbenzonitrile185147-08-456 % similar
4-Amino-3-chlorobenzonitrile21803-75-856 % similar
4-Bromo-3-methylbenzonitrile41963-20-656 % similar
4-Amino-3-bromobenzonitrile50397-74-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.