chempirical

2-Trifluoromethylbenzyl bromide

C8H6BrF3CAS 395-44-8239.04 g/mol

Open in Covalent MOL file
FFFBr
Alkyl halide

Properties

Molecular formula
C8H6BrF3
Molar mass
239.04 g/mol
Exact mass
237.9605 Da
Boiling point
72 °C (at 7.5 Torr)
logP
3.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
395-44-8
SMILES
FC(F)(F)c1ccccc1CBr
InChIKey
TXVVVEUSVBLDED-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-(bromomethyl)-2-(trifluoromethyl)-
  • o-Xylene, α′-bromo-α,α,α-trifluoro-
  • 1-(Bromomethyl)-2-(trifluoromethyl)benzene
  • α′-Bromo-α,α,α-trifluoro-o-xylene
  • o-(Trifluoromethyl)benzyl bromide

Work with 2-Trifluoromethylbenzyl bromide

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-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-067 % similar 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene261952-16-365 % similar 2-Trifluoromethylbenzyl chloride21742-00-759 % similar 2-(Trifluoromethyl)benzenemethanamine3048-01-959 % similar 2-(Trifluoromethyl)benzenemethanol346-06-559 % similar 2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-458 % similar 2-(Trifluoromethyl)benzeneacetonitrile3038-47-957 % similar 2-(Trifluoromethyl)benzeneethanamine774-18-555 % similar

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

Same formula

3-(Trifluoromethyl)benzyl bromide402-23-3 4-(Trifluoromethyl)benzyl bromide402-49-3 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-9

Elsewhere

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