chempirical

4-Bromo-2-(trifluoromethyl)aniline

C7H5BrF3NCAS 445-02-3240.02 g/mol

Open in Covalent MOL file
H2NBrFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5BrF3N
Molar mass
240.02 g/mol
Exact mass
238.9557 Da
Boiling point
60.7–62 °C (at 1 Torr)
logP
3.05Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
445-02-3
SMILES
Nc1ccc(Br)cc1C(F)(F)F
InChIKey
PHXGKHTWEOPCEW-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)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

7 names
  • Benzenamine, 4-bromo-2-(trifluoromethyl)-
  • o-Toluidine, 4-bromo-α,α,α-trifluoro-
  • 4-Bromo-2-(trifluoromethyl)benzenamine
  • 2-Amino-5-bromobenzotrifluoride
  • 2-(Trifluoromethyl)-4-bromoaniline
  • 4-Bromo-2-trifluoromethylphenylamine
  • NSC 88311

Work with 4-Bromo-2-(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

4-Fluoro-2-(trifluoromethyl)aniline393-39-563 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-260 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-358 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-556 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-256 % similar 2-Trifluoromethyl-4-chloroaniline445-03-456 % similar 4-Bromo-1,2-benzenediamine1575-37-754 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-053 % similar

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

Same formula

4-Bromo-3-(trifluoromethyl)aniline393-36-2 2-Bromo-5-trifluoromethylaniline454-79-5 3-Bromo-5-(trifluoromethyl)aniline54962-75-3 2-Bromo-4-trifluoromethylaniline57946-63-1 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-9

Elsewhere

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