chempirical

2-Chloro-3-(trifluoromethyl)aniline

C7H5ClF3NCAS 62476-58-8195.57 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
logP
2.94Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
62476-58-8
SMILES
C1=CC(=C(C(=C1)N)Cl)C(F)(F)F
InChIKey
WLXOMMTWPMQFDE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClF3N/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3H,12H2

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Names and synonyms

1 names
  • 3-Amino-2-chlorobenzotrifluoride

Work with 2-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

2-(Trifluoromethyl)aniline88-17-563 % similar 2-Methyl-3-(trifluoromethyl)aniline54396-44-062 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-160 % similar 1,2-Dichloro-3-(trifluoromethyl)benzene54773-19-259 % similar 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-958 % similar 1-Bromo-2-chloro-3-(trifluoromethyl)benzene56131-47-657 % similar 2-Chloro-3,5-bis(trifluoromethyl)benzenamine201593-90-056 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-155 % 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 3-Chloro-2-(trifluoromethyl)aniline432-21-3 2-Chloro-6-(trifluoromethyl)benzenamine433-94-3 2-Trifluoromethyl-4-chloroaniline445-03-4

Elsewhere

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