chempirical

2-Trifluoromethyl-4-chloroaniline

C7H5ClF3NCAS 445-03-4195.57 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
Boiling point
76–77 °C (at NaN Torr)
logP
2.94Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
445-03-4
SMILES
Nc1ccc(Cl)cc1C(F)(F)F
InChIKey
CVINWVPRKDIGLL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzenamine, 4-chloro-2-(trifluoromethyl)-
  • o-Toluidine, 4-chloro-α,α,α-trifluoro-
  • 4-Chloro-2-(trifluoromethyl)benzenamine
  • C.I. 37055
  • C.I. Azoic diazo component 17
  • Diazo fast scarlet VD
  • Fast scarlet salt VD
  • Fast scarlet VD salt
  • Scarlet salt NVD
  • 1-Amino-4-chloro-2-trifluoromethylbenzene
  • 4-Chloro-2-(trifluoromethyl)aniline
  • 4-Chloro-α,α,α-trifluoro-o-toluidine
  • 2-Amino-5-chlorobenzotrifluoride
  • 5-Chloro-2-aminotrifluorotoluene

Work with 2-Trifluoromethyl-4-chloroaniline

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-2-(trifluoromethyl)aniline393-39-558 % similar 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-156 % similar 1-Bromo-4-chloro-2-(trifluoromethyl)benzene344-65-056 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-356 % similar 2,4-Dichlorobenzotrifluoride320-60-555 % similar 4-Chloro-1,2-phenylenediamine95-83-054 % similar 4-Chloro-2-fluoroaniline57946-56-252 % 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 3-Chloro-4-trifluoromethylaniline445-13-6 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-8

Elsewhere

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