4-(Trifluoromethyl)benzyl bromide

C8H6BrF3CAS 402-49-3239.04 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
65–66 °C (at 5 Torr)
logP
3.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
402-49-3
SMILES
FC(F)(F)c1ccc(CBr)cc1
InChIKey
IKSNDOVDVVPSMA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-(bromomethyl)-4-(trifluoromethyl)-
  • p-Xylene, α′-bromo-α,α,α-trifluoro-
  • 1-(Bromomethyl)-4-(trifluoromethyl)benzene
  • α′-Bromo-α,α,α-trifluoro-p-xylene
  • p-(Trifluoromethyl)benzyl bromide
  • 1-Trifluoromethyl-4-(bromomethyl)benzene
  • 4-Bromomethylbenzotrifluoride

Work with 4-(Trifluoromethyl)benzyl 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

3,5-Bis(trifluoromethyl)benzyl bromide32247-96-462 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar 1,4-Bis(bromomethyl)benzene623-24-557 % similar 4-tert-Butylbenzyl bromide18880-00-756 % similar 4-(Trifluoromethyl)benzylamine3300-51-456 % similar 4-(Trifluoromethyl)benzenemethanol349-95-156 % similar 4-Trifluoromethylbenzyl chloride939-99-156 % similar 2-[4-(Trifluoromethyl)phenyl]ethan-1-amine775-00-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-methylbenzotrifluoride261952-20-9 2-Trifluoromethylbenzyl bromide395-44-8 3-(Trifluoromethyl)benzyl bromide402-23-3 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-9 2-Methyl-3-(trifluoromethyl)bromobenzene69902-83-6 4-Methyl-3-(trifluoromethyl)bromobenzene86845-27-4 3-Bromo-5-(trifluoromethyl)toluene86845-28-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook