3-Chloro-4-[(trifluoromethyl)thio]benzenamine

C₇H₅ClF₃NSCAS 64628-74-6227.63 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine Sulfide

Properties

Molecular formula: C₇H₅ClF₃NS
Molar mass: 227.63 g/mol
Exact mass: 226.9783 Da
logP: 3.53Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin80% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

64628-74-6

SMILES

Nc1ccc(SC(F)(F)F)c(Cl)c1

InChIKey

BLOPJEJSRKMVSU-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClF3NS/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 3-chloro-4-[(trifluoromethyl)thio]-
3-Chloro-4-(trifluoromethylthio)aniline
3-Chloro-4-[(trifluoromethyl)sulfanyl]aniline

Work with 3-Chloro-4-[(trifluoromethyl)thio]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

3-[(Trifluoromethyl)thio]benzenamine369-68-653 % similar 3-Chloro-4-trifluoromethylaniline445-13-651 % similar 4-[(Trifluoromethyl)thio]benzenamine372-16-748 % similar 3,4-Dichloroaniline95-76-148 % similar 3-Chloro-4-(trifluoromethoxy)aniline64628-73-547 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-447 % similar 3-Chloro-4-fluoroaniline367-21-547 % similar 2-Chloro-p-phenylenediamine615-66-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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