4-Chloro-3-(trifluoromethyl)aniline

C₇H₅ClF₃NCAS 320-51-4195.57 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
Melting point: 36–37 °C
Boiling point: 132 °C (at 27 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 swallowed78% of notifiers
H312 Harmful in contact with skin11.9% of notifiers
H315 Causes skin irritation98.3% of notifiers
H319 Causes serious eye irritation98.3% of notifiers
H332 Harmful if inhaled11.9% of notifiers
H335 May cause respiratory irritation89.8% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

320-51-4

SMILES

Nc1ccc(Cl)c(C(F)(F)F)c1

InChIKey

ASPDJZINBYYZRU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 4-chloro-3-(trifluoromethyl)-
m-Toluidine, 4-chloro-α,α,α-trifluoro-
4-Chloro-3-(trifluoromethyl)benzenamine
3-(Trifluoromethyl)-4-chloroaniline
4-Chloro-α,α,α-trifluoro-m-toluidine
5-Amino-2-chlorobenzotrifluoride
3-Amino-6-chlorobenzotrifluoride
NSC 61405
(4-Chloro-3-trifluoromethylphenyl)amine
2-Chloro-5-aminobenzotrifluoride
3-Trifluoromethyl-4-chlorophenylamine

Work with 4-Chloro-3-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-Bis(trifluoromethyl)benzidine341-58-262 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-460 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-660 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-358 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-358 % similar 2-Chloro-5-iodobenzotrifluoride260355-20-256 % similar 4,4'-Oxybis[3-(trifluoromethyl)aniline]344-48-956 % 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 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 2-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6

Elsewhere

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