2-(Trifluoromethyl)aniline
Properties
- Molecular formula
- C7H6F3N
- Molar mass
- 161.13 g/mol
- Exact mass
- 161.0452 Da
- Melting point
- 35.5 °C
- Boiling point
- 187 °C
- logP
- 2.29Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor64% of notifiers
- H301 Toxic if swallowed17.8% of notifiers
- H302+H332 Harmful if swallowed or if inhaled15.7% of notifiers
- H302 Harmful if swallowed80.9% of notifiers
- H311 Toxic in contact with skin17.8% of notifiers
- H315 Causes skin irritation80.9% of notifiers
- H317 May cause an allergic skin reaction60.6% of notifiers
- H319 Causes serious eye irritation78.8% of notifiers
- H331 Toxic if inhaled18.2% of notifiers
- H332 Harmful if inhaled17.4% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure80.1% of notifiers
- H411 Toxic to aquatic life with long lasting effects64.4% of notifiers
- H412 Harmful to aquatic life with long lasting effects15.7% of notifiers
Aggregated from 236 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
88-17-5SMILES
Nc1ccccc1C(F)(F)FInChIKey
VBLXCTYLWZJBKA-UHFFFAOYSA-NInChI
InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzenamine, 2-(trifluoromethyl)-
- o-Toluidine, α,α,α-trifluoro-
- 2-(Trifluoromethyl)benzenamine
- α,α,α-Trifluoro-o-toluidine
- o-Aminobenzotrifluoride
- o-(Trifluoromethyl)aniline
- 2-Aminobenzotrifluoride
- 2-Amino-α,α,α-trifluorotoluene
- NSC 10336
- o-(Trifluoromethyl)phenylamine
- 2-Trifluoromethylphenylamine
Work with 2-(Trifluoromethyl)aniline
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methyl-3-(trifluoromethyl)aniline54396-44-065 % similar
2-Fluoro-3-(trifluoromethyl)aniline123973-25-163 % similar
2-Chloro-3-(trifluoromethyl)aniline62476-58-863 % similar
1,2-Bis(trifluoromethyl)benzene433-95-462 % similar
2-Bromo-3-(trifluoromethyl)benzenamine58458-10-961 % similar
3,3'-Bis(trifluoromethyl)benzidine346-88-356 % similar
2-Amino-5-methylbenzotrifluoride87617-23-055 % similar
2-tert-Butylaniline6310-21-054 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2,4,5-Trifluorobenzyl amine168644-93-7
2,4,6-Trifluorobenzylamine214759-21-4
2,3,6-Trifluorobenzenemethanamine230295-09-7
2,3,4-Trifluorobenzylamine235088-67-2
3,4,5-Trifluorobenzenemethanamine235088-69-4
(2,3,5-Trifluorophenyl)methanamine244022-72-8
4-(Trifluoromethyl)aniline455-14-1
3-(Trifluoromethyl)aniline98-16-8