3,5-Bis(trifluoromethyl)benzenamine
Properties
- Molecular formula
- C8H5F6N
- Molar mass
- 229.13 g/mol
- Exact mass
- 229.0326 Da
- Melting point
- 168.2–169.2 °C
- Boiling point
- 85 °C
- logP
- 3.31Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed15.1% of notifiers
- H312 Harmful in contact with skin15.1% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled15.1% of notifiers
- H335 May cause respiratory irritation83% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure13.2% of notifiers
Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
328-74-5SMILES
Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1InChIKey
CDIDGWDGQGVCIB-UHFFFAOYSA-NInChI
InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzenamine, 3,5-bis(trifluoromethyl)-
- 3,5-Xylidine, α,α,α,α′,α′,α′-hexafluoro-
- 3,5-Bis(trifluoromethyl)aniline
- α,α,α,α′,α′,α′-Hexafluoro-3,5-xylidine
- 3,5-Di(trifluoromethyl)aniline
- NSC 3411
- 3,5-Bis(trifluoromethyl)phenylamine
- 3,5-Di(trifluoromethyl)phenylamine
- Bis(trifluoromethyl)aniline
Work with 3,5-Bis(trifluoromethyl)benzenamine
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
3,5-Diaminobenzotrifluoride368-53-689 % similar
3-Fluoro-5-trifluoromethylaniline454-67-171 % similar
3-Bromo-5-(trifluoromethyl)aniline54962-75-368 % similar
3-Chloro-5-(trifluoromethyl)benzenamine69411-05-868 % similar
3-Methyl-5-trifluoromethylaniline96100-12-868 % similar
1,3,5-Tris(trifluoromethyl)benzene729-81-767 % similar
5-(Trifluoromethyl)-m-anisidine349-55-361 % similar
3-(Trifluoromethyl)aniline98-16-860 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.