Cas no 71258-22-5 (Benzyl-d5 Bromide)

Benzyl-d5 Bromide (C7D5CH2Br) is a deuterated analog of benzyl bromide, where five hydrogen atoms are replaced with deuterium. This isotopic labeling enhances the compound's utility in NMR spectroscopy and mass spectrometry, providing distinct spectral signatures for precise tracking in reaction mechanisms and metabolic studies. Its high isotopic purity (>98%) ensures minimal interference in experimental results. Benzyl-d5 Bromide is commonly employed in organic synthesis, pharmaceutical research, and kinetic studies, where deuterium incorporation is critical for elucidating pathways or improving stability. The compound is handled under inert conditions due to its reactivity, similar to non-deuterated benzyl bromide.
Benzyl-d5 Bromide structure
Benzyl-d5 Bromide structure
Product Name:Benzyl-d5 Bromide
CAS No:71258-22-5
MF:C7H7Br
MW:176.065289735794
CID:548176
Update Time:2025-05-27

Benzyl-d5 Bromide Chemical and Physical Properties

Names and Identifiers

    • Benzene-1,2,3,4,5-d5,6-(bromomethyl)-
    • Benzyl-d5 Bromide
    • BENZYL-2,3,4,5,6-D5 BROMIDE
    • (R)-(-)-fluoxetine hydrochloride
    • (R)-Fluoxetine hydrochloride
    • (R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine hydrochloride
    • < R> -(-)-fluoxetine hydrochloride
    • < ring-(2)H5> benzyl bromide
    • 2,3,4,5,6-pentadeuteriobenzyl bromide
    • bromomethyl-pentadeuterio-benzene
    • Fluoxetine hydrochloride, R-
    • R-(-)-Fluoxetine hydrochlo
    • R-(+)-fluoxetine
    • R-Fluoxetine hydrochloride
    • SureCN3905325
    • UNII-7C4D25ST1T
    • Inchi: 1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D,4D,5D
    • InChI Key: AGEZXYOZHKGVCM-RALIUCGRSA-N
    • SMILES: BrCC1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 175.004
  • Monoisotopic Mass: 175.004
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 55.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 0A^2

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