2,6-Dichloro-4-trifluoromethylaniline

C₇H₄Cl₂F₃NCAS 24279-39-8230.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₄Cl₂F₃N
Molar mass: 230.01 g/mol
Exact mass: 228.9673 Da
Melting point: 32–35 °C
Boiling point: 88–89 °C (at 3 Torr)
logP: 3.59Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H332 Harmful if inhaledAcute toxicity, inhalation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-212-00-6), via PubChem.

Precautionary statements

P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

24279-39-8

SMILES

Nc1c(Cl)cc(C(F)(F)F)cc1Cl

InChIKey

ITNMAZSPBLRJLU-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2,6-dichloro-4-(trifluoromethyl)-
p-Toluidine, 2,6-dichloro-α,α,α-trifluoro-
2,6-Dichloro-4-(trifluoromethyl)benzenamine
4-Amino-3,5-dichlorobenzotrifluoride

Work with 2,6-Dichloro-4-trifluoromethylaniline

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-Chloro-5-(trifluoromethyl)-1,2-benzenediamine132915-80-178 % similar 2-Bromo-6-chloro-4-(trifluoromethyl)aniline109919-26-872 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-662 % similar [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine86398-94-961 % similar 4-Amino-3-chloro-5-nitrobenzotrifluoride57729-79-060 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-759 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-357 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-6-(trifluoromethyl)aniline62593-17-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook