chempirical

2,6-Dichloro-4-trifluoromethylaniline

C7H4Cl2F3NCAS 24279-39-8230.01 g/mol

Open in Covalent MOL file
H2NClFFFCl
Alkyl halideAryl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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 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 2-Chloro-4-trifluoromethylaniline39885-50-257 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook