2-Amino-5-cyanobenzotrifluoride
Properties
- Molecular formula
- C8H5F3N2
- Molar mass
- 186.14 g/mol
- Exact mass
- 186.0405 Da
- logP
- 2.16Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled14.3% of notifiers
- H301 Toxic if swallowed28.6% of notifiers
- H302 Harmful if swallowed71.4% of notifiers
- H311 Toxic in contact with skin28.6% of notifiers
- H312 Harmful in contact with skin57.1% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled28.6% of notifiers
- H332 Harmful if inhaled57.1% 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
327-74-2SMILES
C1=CC(=C(C=C1C#N)C(F)(F)F)NInChIKey
MWLZJOBGDXBMBP-UHFFFAOYSA-NInChI
InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,13H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Amino-3-(trifluoromethyl)benzonitrile
Work with 2-Amino-5-cyanobenzotrifluoride
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
4-Methyl-3-(trifluoromethyl)benzonitrile261952-06-160 % similar
4-Methoxy-3-trifluoromethylbenzonitrile261951-87-559 % similar
3,4-Diaminobenzonitrile17626-40-358 % similar
3-Fluoro-4-(trifluoromethyl)benzonitrile231953-38-157 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.