2-Chloro-5-(trifluoromethyl)aniline

C₇H₅ClF₃NCAS 121-50-6195.57 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: 82–83 °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 swallowed94.5% of notifiers
H312 Harmful in contact with skin94.5% of notifiers
H315 Causes skin irritation61.8% of notifiers
H319 Causes serious eye irritation60.9% of notifiers
H332 Harmful if inhaled94.5% of notifiers
H411 Toxic to aquatic life with long lasting effects56.4% of notifiers

Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

121-50-6

SMILES

Nc1cc(C(F)(F)F)ccc1Cl

InChIKey

VKTTYIXIDXWHKW-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF3N/c8-5-2-1-4(3-6(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

21 names · show all

Benzenamine, 2-chloro-5-(trifluoromethyl)-
m-Toluidine, 6-chloro-α,α,α-trifluoro-
2-Chloro-5-(trifluoromethyl)benzenamine
3-Amino-4-chlorobenzotrifluoride
3-Amino-4-chloro-α,α,α-trifluorotoluene
Azoene fast orange RD salt
4-Chloro-3-aminobenzotrifluoride
6-Chloro-α,α,α-trifluoro-m-toluidine
Daito orange salt RD
Fast orange RD salt
Fast orange salt RD
Fast orange salt RDA
Fast orange salt RDN
Hiltosal fast orange RD salt
Orange salt NRD
Sanyo fast orange salt RD
α,α,α-Trifluoro-6-chloro-m-toluidine
6-Chloro-3-(trifluoromethyl)aniline
NSC 10318
(2-Chloro-5-trifluoromethylphenyl)amine
1-Amino-2-chloro-5-trifluoromethylbenzene

Work with 2-Chloro-5-(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

3,4-Dichlorobenzotrifluoride328-84-764 % similar 3,4-Diaminobenzotrifluoride368-71-864 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-460 % similar 2,5-Bis(trifluoromethyl)aniline328-93-860 % similar 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-159 % similar 4-Chloro-3-fluorobenzotrifluoride32137-20-558 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-458 % similar 1-[2-Chloro-5-(trifluoromethyl)phenyl]hydrazine1869-22-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6

Elsewhere

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