3-(Trifluoromethyl)benzyl bromide

C8H6BrF3CAS 402-23-3239.04 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
69 °C (at 4 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
402-23-3
SMILES
FC(F)(F)c1cccc(CBr)c1
InChIKey
MYYYZNVAUZVXBO-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

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Names and synonyms

7 names
  • Benzene, 1-(bromomethyl)-3-(trifluoromethyl)-
  • m-Xylene, α′-bromo-α,α,α-trifluoro-
  • 1-(Bromomethyl)-3-(trifluoromethyl)benzene
  • α′-Bromo-α,α,α-trifluoro-m-xylene
  • 3-(Bromomethyl)benzotrifluoride
  • m-(Trifluoromethyl)benzyl bromide
  • 3-(Bromomethyl)-1-(trifluoromethyl)benzene

Work with 3-(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

3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-468 % similar 3,5-Bis(trifluoromethyl)benzyl bromide32247-96-464 % similar 3-(Trifluoromethyl)benzyl mercaptan25697-55-661 % similar 3-(Trifluoromethyl)benzylamine2740-83-261 % similar 3-(Trifluoromethyl)benzylic alcohol349-75-761 % similar 3-(Trifluoromethyl)benzyl chloride705-29-361 % similar 3,5-Bis(trifluoromethyl)benzene402-31-358 % similar 1,3-Bis(bromomethyl)benzene626-15-358 % 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 4-(Trifluoromethyl)benzyl bromide402-49-3 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

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