2-Trifluoromethyl-4-chloroaniline

C₇H₅ClF₃NCAS 445-03-4195.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₅ClF₃N
Molar mass: 195.57 g/mol
Exact mass: 195.0063 Da
Boiling point: 76–77 °C (at NaN Torr)
logP: 2.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed96% of notifiers
H312 Harmful in contact with skin90% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled90% of notifiers
H335 May cause respiratory irritation86% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure80% of notifiers

Aggregated from 50 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

445-03-4

SMILES

Nc1ccc(Cl)cc1C(F)(F)F

InChIKey

CVINWVPRKDIGLL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

Benzenamine, 4-chloro-2-(trifluoromethyl)-
o-Toluidine, 4-chloro-α,α,α-trifluoro-
4-Chloro-2-(trifluoromethyl)benzenamine
C.I. 37055
C.I. Azoic diazo component 17
Diazo fast scarlet VD
Fast scarlet salt VD
Fast scarlet VD salt
Scarlet salt NVD
1-Amino-4-chloro-2-trifluoromethylbenzene
4-Chloro-2-(trifluoromethyl)aniline
4-Chloro-α,α,α-trifluoro-o-toluidine
2-Amino-5-chlorobenzotrifluoride
5-Chloro-2-aminotrifluorotoluene

Work with 2-Trifluoromethyl-4-chloroaniline

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3'-Bis(trifluoromethyl)benzidine346-88-362 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-660 % similar 2,4-Bis(trifluoromethyl)aniline367-71-560 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-558 % similar 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene89634-74-258 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-156 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-(trifluoromethyl)aniline121-50-6 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine22123-14-4 4-Chloro-3-(trifluoromethyl)aniline320-51-4 5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-9 2-Chloro-4-trifluoromethylaniline39885-50-2 3-Chloro-2-(trifluoromethyl)aniline432-21-3 2-Chloro-6-(trifluoromethyl)benzenamine433-94-3 3-Chloro-4-trifluoromethylaniline445-13-6

Elsewhere

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