Cas no 1219795-18-2 (3-NITROBENZYL-D6 ALCOHOL)

3-Nitrobenzyl-D6 alcohol is a deuterated analog of 3-nitrobenzyl alcohol, where six hydrogen atoms are replaced with deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing distinct spectral signatures for precise analytical applications. The compound is particularly valuable in kinetic studies, metabolic research, and tracer experiments, where deuterium incorporation minimizes interference from endogenous compounds. Its high chemical purity and isotopic enrichment ensure reliable performance in quantitative analyses. The presence of the nitro group further allows for selective derivatization or reduction, making it a versatile intermediate in synthetic chemistry and pharmaceutical research.
3-NITROBENZYL-D6 ALCOHOL structure
3-NITROBENZYL-D6 ALCOHOL structure
Product Name:3-NITROBENZYL-D6 ALCOHOL
CAS No:1219795-18-2
MF:C7H7NO3
MW:159.172352075577
CID:1003536
Update Time:2025-06-07

3-NITROBENZYL-D6 ALCOHOL Chemical and Physical Properties

Names and Identifiers

    • 3-NITROBENZYL-D6 ALCOHOL
    • dideuterio-(2,3,4,6-tetradeuterio-5-nitrophenyl)methanol
    • Inchi: 1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2/i1D,2D,3D,4D,5D2
    • InChI Key: CWNPOQFCIIFQDM-NVSFMWKBSA-N
    • SMILES: C1([N+](=O)[O-])C([2H])=C(C(O)([2H])[2H])C(=C([2H])C=1[2H])[2H]

Computed Properties

  • Exact Mass: 159.08
  • Monoisotopic Mass: 159.08
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 143
  • 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: 1.2

3-NITROBENZYL-D6 ALCOHOL Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
N900824-2.5mg
3-Nitrobenzyl-d6 Alcohol
1219795-18-2
2.5mg
$ 64.00 2023-09-06
TRC
N900824-5mg
3-Nitrobenzyl-d6 Alcohol
1219795-18-2
5mg
$ 81.00 2023-09-06
TRC
N900824-25mg
3-Nitrobenzyl-d6 Alcohol
1219795-18-2
25mg
$196.00 2023-05-17

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