chempirical

2-Bromo-4-trifluoromethylaniline

C7H5BrF3NCAS 57946-63-1240.02 g/mol

Open in Covalent MOL file
H2NFFFBr
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5BrF3N
Molar mass
240.02 g/mol
Exact mass
238.9557 Da
logP
3.05Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
57946-63-1
SMILES
Nc1ccc(C(F)(F)F)cc1Br
InChIKey
QKRJIXSZTKOFTD-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenamine, 2-bromo-4-(trifluoromethyl)-
  • 2-Bromo-4-(trifluoromethyl)benzenamine
  • 3-Bromo-4-aminobenzotrifluoride
  • 2-Bromo-4-trifluoromethylphenylamine
  • 4-Trifluoromethyl-2-bromoaniline
  • 4-Amino-3-bromobenzotrifluoride

Work with 2-Bromo-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

2-Bromo-4-(tert-butyl)aniline103273-01-461 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-259 % similar 2-Chloro-4-trifluoromethylaniline39885-50-256 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-456 % similar 2-Amino-5-(trifluoromethyl)phenol454-82-056 % similar 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-956 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-355 % similar 2-Bromo-4-fluoroaniline1003-98-152 % similar

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

Same formula

4-Bromo-3-(trifluoromethyl)aniline393-36-2 4-Bromo-2-(trifluoromethyl)aniline445-02-3 2-Bromo-5-trifluoromethylaniline454-79-5 3-Bromo-5-(trifluoromethyl)aniline54962-75-3 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-9

Elsewhere

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