2-Chloro-3-(trifluoromethyl)aniline

C₇H₅ClF₃NCAS 62476-58-8195.57 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

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 irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation20% 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, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

62476-58-8

SMILES

C1=CC(=C(C(=C1)N)Cl)C(F)(F)F

InChIKey

WLXOMMTWPMQFDE-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

3-Amino-2-chlorobenzotrifluoride

Work with 2-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-(Trifluoromethyl)aniline88-17-563 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-062 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-160 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-259 % similar 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-958 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-657 % similar 2-Chloro-3,5-bis(trifluoromethyl)benzenamine201593-90-056 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-155 % 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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