chempirical

4-Chloro-3-(trifluoromethyl)aniline

C7H5ClF3NCAS 320-51-4195.57 g/mol

Open in Covalent MOL file
H2NClFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5ClF3N
Molar mass
195.57 g/mol
Exact mass
195.0063 Da
Melting point
36–37 °C
Boiling point
132 °C (at 27 Torr)
logP
2.94Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
320-51-4
SMILES
Nc1ccc(Cl)c(C(F)(F)F)c1
InChIKey
ASPDJZINBYYZRU-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

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

Names and synonyms

11 names
  • Benzenamine, 4-chloro-3-(trifluoromethyl)-
  • m-Toluidine, 4-chloro-α,α,α-trifluoro-
  • 4-Chloro-3-(trifluoromethyl)benzenamine
  • 3-(Trifluoromethyl)-4-chloroaniline
  • 4-Chloro-α,α,α-trifluoro-m-toluidine
  • 5-Amino-2-chlorobenzotrifluoride
  • 3-Amino-6-chlorobenzotrifluoride
  • NSC 61405
  • (4-Chloro-3-trifluoromethylphenyl)amine
  • 2-Chloro-5-aminobenzotrifluoride
  • 3-Trifluoromethyl-4-chlorophenylamine

Work with 4-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

1,4-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-358 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-358 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-256 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-256 % similar 4-Chloro-3-(trifluoromethyl)phenol6294-93-556 % similar 2-Chlorobenzotrifluoride88-16-455 % similar 3,4-Dichloroaniline95-76-154 % 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 5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-9 2-Chloro-4-trifluoromethylaniline39885-50-2 2-Chloro-6-(trifluoromethyl)benzenamine433-94-3 2-Trifluoromethyl-4-chloroaniline445-03-4 3-Chloro-4-trifluoromethylaniline445-13-6 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-8

Elsewhere

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