chempirical

2-Bromo-5-trifluoromethylaniline

C7H5BrF3NCAS 454-79-5240.02 g/mol

Open in Covalent MOL file
NH2FFFBr
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5BrF3N
Molar mass
240.02 g/mol
Exact mass
238.9557 Da
Density
1.694 g/mL (at 25 °C)
Boiling point
81–82 °C (at 5 Torr)
logP
3.05Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
454-79-5
SMILES
Nc1cc(C(F)(F)F)ccc1Br
InChIKey
PZDVFXUBTKPFSG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF3N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 2-bromo-5-(trifluoromethyl)-
  • m-Toluidine, 2-bromo-α,α,α-trifluoro-
  • 2-Bromo-5-(trifluoromethyl)benzenamine
  • 3-Amino-4-bromobenzotrifluoride
  • 4-Bromo-3-aminobenzotrifluoride
  • 2-Bromo-5-trifluoromethylphenylamine
  • NSC 88276
  • 2-Amino-4-trifluoromethyl-1-bromobenzene
  • 5-Trifluoromethyl-2-bromoaniline

Work with 2-Bromo-5-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

1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-360 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-259 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-656 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-656 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-553 % similar 2-Bromo-5-fluorobenzenamine1003-99-252 % similar 2-Chloro-4-trifluoromethylaniline39885-50-252 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-452 % 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 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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