2-Chloro-4-trifluoromethylaniline

C₇H₅ClF₃NCAS 39885-50-2195.57 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: 89 °C (at 0.5 Torr)
logP: 2.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed85.4% of notifiers
H302 Harmful if swallowed14.6% of notifiers
H311 Toxic in contact with skin85.4% of notifiers
H312 Harmful in contact with skin10.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled95.8% of notifiers
H335 May cause respiratory irritation87.5% of notifiers
H400 Very toxic to aquatic life87.5% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, 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, P391, P403+P233, P405, P501

Identifiers

CAS number

39885-50-2

SMILES

Nc1ccc(C(F)(F)F)cc1Cl

InChIKey

MBBUTABXEITVNY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2-chloro-4-(trifluoromethyl)-
2-Chloro-4-(trifluoromethyl)benzenamine
2-Chloro-α,α,α-trifluoro-p-toluidine
2-Chloro-4-trifluoromethylphenylamine

Work with 2-Chloro-4-trifluoromethylaniline

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

3,4-Dichlorobenzotrifluoride328-84-764 % similar 3,4-Diaminobenzotrifluoride368-71-864 % similar 2,4-Bis(trifluoromethyl)aniline367-71-560 % similar 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-159 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-958 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-658 % similar 1-[2-Chloro-4-(trifluoromethyl)phenyl]hydrazine86398-98-358 % similar 3,3′-Dichlorobenzidine91-94-157 % 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 3-Chloro-2-(trifluoromethyl)aniline432-21-3 2-Chloro-6-(trifluoromethyl)benzenamine433-94-3 2-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook