chempirical

3-Chloro-4-trifluoromethylaniline

C7H5ClF3NCAS 445-13-6195.57 g/mol

Open in Covalent MOL file
H2NFFFCl
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5ClF3N
Molar mass
195.57 g/mol
Exact mass
195.0063 Da
Boiling point
112–115 °C
logP
2.94Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
445-13-6
SMILES
Nc1ccc(C(F)(F)F)c(Cl)c1
InChIKey
KZAMRRANXJVDCD-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenamine, 3-chloro-4-(trifluoromethyl)-
  • p-Toluidine, 3-chloro-α,α,α-trifluoro-
  • 3-Chloro-4-(trifluoromethyl)benzenamine
  • 4-Amino-2-chlorobenzotrifluoride
  • (3-Chloro-4-trifluoromethylphenyl)amine
  • 3-Chloro-4-trifluoromethylbenzenamine

Work with 3-Chloro-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dichlorobenzotrifluoride320-60-560 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-358 % similar 2-Chlorobenzotrifluoride88-16-455 % similar 3,4-Dichloroaniline95-76-154 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-353 % similar 3-Chloro-4-fluoroaniline367-21-552 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-252 % similar 3-Chloro-4-(trifluoromethyl)benzonitrile1092460-79-151 % 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 4-Chloro-3-(trifluoromethyl)aniline320-51-4 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-5-(trifluoromethyl)benzenamine69411-05-8

Elsewhere

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