4-Methyl-3-(trifluoromethyl)benzonitrile
Properties
- Molecular formula
- C9H6F3N
- Molar mass
- 185.15 g/mol
- Exact mass
- 185.0452 Da
- logP
- 2.89Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed16.7% of notifiers
- H302 Harmful if swallowed83.3% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation83.3% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H331 Toxic if inhaled16.7% of notifiers
- H332 Harmful if inhaled83.3% of notifiers
- H335 May cause respiratory irritation16.7% 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, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
261952-06-1SMILES
CC1=C(C=C(C=C1)C#N)C(F)(F)FInChIKey
YWAGJCPTOFPGIS-UHFFFAOYSA-NInChI
InChI=1S/C9H6F3N/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Methyl-3-(trifluoromethyl)benzonitrile
Similar compounds
4-Fluoro-3-(trifluoromethyl)benzonitrile67515-59-762 % similar
4-Hydroxy-3-(trifluoromethyl)benzonitrile124811-71-860 % similar
4-Bromo-3-(trifluoromethyl)benzonitrile1735-53-160 % similar
4-Chloro-3-(trifluoromethyl)benzonitrile1735-54-260 % similar
2-Amino-5-cyanobenzotrifluoride327-74-260 % similar
4-Methoxy-3-trifluoromethylbenzonitrile261951-87-559 % similar
3,4-Dimethylbenzonitrile22884-95-358 % similar
3-Fluoro-4-(trifluoromethyl)benzonitrile231953-38-157 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.