2-Chloro-3,5-bis(trifluoromethyl)benzenamine

C₈H₄ClF₆NCAS 201593-90-0263.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₈H₄ClF₆N
Molar mass: 263.57 g/mol
Exact mass: 262.9936 Da
logP: 3.96Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

201593-90-0

SMILES

Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl

InChIKey

JKUFETFGEJPHEM-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 2-chloro-3,5-bis(trifluoromethyl)-
2-Chloro-3,5-bis(trifluoromethyl)aniline
3,5-Bis(trifluoromethyl)-2-chloroaniline

Work with 2-Chloro-3,5-bis(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

2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine34207-44-878 % similar 3,5-Bis(trifluoromethyl)-1,2-diaminobenzene367-65-761 % similar 2-Bromo-3,5-bis(trifluoromethyl)aniline174824-16-958 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-856 % similar 2,5-Bis(trifluoromethyl)aniline328-93-853 % similar 2,4-Bis(trifluoromethyl)aniline367-71-553 % similar 3-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-153 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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