4-(Trifluoromethyl)anilinium chloride

C₇H₇ClF₃NCAS 90774-69-9197.59 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₇H₇ClF₃N
Molar mass: 197.59 g/mol
Exact mass: 197.0219 Da
logP: 2.71Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed10.9% of notifiers
H302 Harmful if swallowed87% of notifiers
H312 Harmful in contact with skin84.8% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled84.8% of notifiers
H335 May cause respiratory irritation95.7% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

90774-69-9

SMILES

Cl.Nc1ccc(C(F)(F)F)cc1

InChIKey

CZGDYZDUMJDQSD-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 4-(trifluoromethyl)-, hydrochloride (1:1)
Benzenamine, 4-(trifluoromethyl)-, hydrochloride
4-(Trifluoromethyl)aniline hydrochloride
p-(Trifluoromethyl)anilinium chloride
p-(Trifluoromethyl)aniline hydrochloride

Work with 4-(Trifluoromethyl)anilinium chloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(Trifluoromethyl)aniline455-14-1Free base

Similar compounds

(4-(Trifluoromethyl)phenyl)hydrazine hydrochloride2923-56-057 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar 1,4-Diaminobenzene dihydrochloride624-18-057 % similar 4,4'-(Hexafluoroisopropylidene)dianiline1095-78-952 % similar 4-(Trifluoromethyl)benzamidine Hydrochloride38980-96-052 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-550 % similar 3,5-Diaminobenzotrifluoride368-53-650 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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