4-(Trifluoromethyl)aniline
Properties
- Molecular formula
- C7H6F3N
- Molar mass
- 161.13 g/mol
- Exact mass
- 161.0452 Da
- Density
- 1.283 g/mL (at 27 °C)
- Melting point
- 38 °C
- Boiling point
- 117.5 °C
- logP
- 2.29Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed66.1% of notifiers
- H318 Causes serious eye damage18.3% of notifiers
- H319 Causes serious eye irritation47.7% of notifiers
- H331 Toxic if inhaled17.4% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure17.4% of notifiers
- H400 Very toxic to aquatic life63.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects64.2% of notifiers
Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P391, P403+P233, P405, P501
Identifiers
CAS number
455-14-1SMILES
Nc1ccc(C(F)(F)F)cc1InChIKey
ODGIMMLDVSWADK-UHFFFAOYSA-NInChI
InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Benzenamine, 4-(trifluoromethyl)-
- p-Toluidine, α,α,α-trifluoro-
- 4-(Trifluoromethyl)benzenamine
- p-Aminobenzotrifluoride
- p-(Trifluoromethyl)aniline
- α,α,α-Trifluoro-p-toluidine
- p-Amino-α,α,α-trifluorotoluene
- 4-Aminobenzotrifluoride
- 4-Amino-α,α,α-benzotrifluoride
- (4-(Trifluoromethyl)phenyl)amine
- NSC 10337
- p-Trifluoromethylphenylamine
- 1-Amino-4-(trifluoromethyl)benzene
Work with 4-(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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,4-Bis(trifluoromethyl)benzene433-19-267 % similar
4,4'-(Hexafluoroisopropylidene)dianiline1095-78-958 % similar
4,4′,4′′,4′′′-Methanetetrayltetrakis[benzenamine]60532-63-057 % similar
3,5-Bis(trifluoromethyl)benzenamine328-74-557 % similar
3,5-Diaminobenzotrifluoride368-53-657 % similar
4-Fluorobenzotrifluoride402-44-852 % similar
4-Trifluoromethylphenylhydrazine368-90-152 % similar
2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol722-92-952 % 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
2-(Trifluoromethyl)aniline88-17-5
3-(Trifluoromethyl)aniline98-16-8