3-Chloro-5-(trifluoromethyl)benzenamine

C₇H₅ClF₃NCAS 69411-05-8195.57 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
logP: 2.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled12.5% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin75% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled75% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 8 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

69411-05-8

SMILES

Nc1cc(Cl)cc(C(F)(F)F)c1

InChIKey

OVENUGPMQDFGLE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 3-chloro-5-(trifluoromethyl)-
3-Chloro-5-trifluoromethylaniline
1-Amino-3-chloro-5-trifluoromethylbenzene
3-Chloro-5-(trifluoromethyl)aniline

Work with 3-Chloro-5-(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

1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-368 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-568 % similar 3,5-Diaminobenzotrifluoride368-53-668 % similar 1,3-Dichloro-5-(trifluoromethyl)benzene54773-20-568 % similar 3-Fluoro-5-trifluoromethylaniline454-67-157 % similar 3,5-Diaminochlorobenzene33786-89-956 % similar 3,5-Dichloroaniline626-43-756 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-355 % 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 2-Trifluoromethyl-4-chloroaniline445-03-4

Elsewhere

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