2-Chloro-6-(trifluoromethyl)benzenamine

C₇H₅ClF₃NCAS 433-94-3195.57 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: 39–40 °C (at 0.1 Torr)
logP: 2.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H227 Combustible liquid14.3% of notifiers
H301 Toxic if swallowed14.3% of notifiers
H302 Harmful if swallowed85.7% of notifiers
H311 Toxic in contact with skin14.3% of notifiers
H312 Harmful in contact with skin85.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H330 Fatal if inhaled14.3% of notifiers
H332 Harmful if inhaled85.7% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

433-94-3

SMILES

Nc1c(Cl)cccc1C(F)(F)F

InChIKey

OTRRSPQJZRCMDA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/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-6-(trifluoromethyl)-
o-Toluidine, 6-chloro-α,α,α-trifluoro-
2-Amino-3-chlorobenzotrifluoride
2-Chloro-6-(trifluoromethyl)aniline

Work with 2-Chloro-6-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chlorobenzotrifluoride88-16-463 % similar 2,4-Dichloro-6-(trifluoromethyl)aniline62593-17-361 % similar 2-Fluoro-6-(trifluoromethyl)aniline144851-61-660 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-259 % similar 2,6-Dichloroaniline608-31-156 % similar 2-Bromo-1-chloro-3-(trifluoromethyl)benzene384-16-755 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-853 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-353 % 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-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6

Elsewhere

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