4-Chloro-3-(trifluoromethyl)benzylamine

C₈H₇ClF₃NCAS 62039-92-3209.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₈H₇ClF₃N
Molar mass: 209.60 g/mol
Exact mass: 209.0219 Da
logP: 2.82Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed86.7% of notifiers
H314 Causes severe skin burns and eye damage13.3% of notifiers
H315 Causes skin irritation86.7% of notifiers
H317 May cause an allergic skin reaction86.7% of notifiers
H319 Causes serious eye irritation86.7% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

62039-92-3

SMILES

C1=CC(=C(C=C1CN)C(F)(F)F)Cl

InChIKey

SRHQOQMNBVOXCF-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2

Weigh it out

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

Names and synonyms

1 names

Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-

Work with 4-Chloro-3-(trifluoromethyl)benzylamine

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

4-Chloro-3-(trifluoromethyl)benzyl bromide261763-23-965 % similar 4-Chloro-3-(trifluoromethyl)benzyl alcohol65735-71-965 % similar [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine67515-74-662 % similar 3,4-Dichlorobenzenemethanamine102-49-858 % similar 3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-957 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-456 % similar (4-Chloro-3-fluorophenyl)methanamine72235-58-656 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-(trifluoromethyl)benzyl amine361393-93-3 2-Chloro-3-(trifluoromethyl)benzylamine39226-96-5 4-Chloro-2-(trifluoromethyl)benzylamine771583-81-4

Elsewhere

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