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CAS 2206-26-0

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Acetonitrile-d3

Description:
Acetonitrile-d3, also known as deuterated acetonitrile, is a stable isotopologue of acetonitrile, where three hydrogen atoms are replaced by deuterium, a heavier isotope of hydrogen. Its chemical formula is C2D3N, and it retains the same structural characteristics as acetonitrile, featuring a nitrile functional group (-C≡N) attached to a methyl group. Acetonitrile-d3 is a colorless, volatile liquid with a characteristic odor, and it is miscible with water and many organic solvents. This compound is primarily used as a solvent in nuclear magnetic resonance (NMR) spectroscopy due to its deuterated nature, which minimizes background signals and enhances the clarity of spectral data. Additionally, it serves as a reagent in various chemical syntheses and is utilized in the study of reaction mechanisms. Acetonitrile-d3 is generally considered to have low toxicity, but standard safety precautions should be observed when handling it in a laboratory setting.
Formula:C2D3N
InChI:InChI=1S/C2H3N/c1-2-3/h1H3/i1D3
InChI key:InChIKey=WEVYAHXRMPXWCK-FIBGUPNXSA-N
SMILES:C(C([2H])([2H])[2H])#N
Synonyms:
  • (~2~H_3_)acetonitrile
  • Acetonitrile-2,2,2-d<sub>3</sub>
  • Acetonitrile-d<sub>3</sub>
  • Acetonitriledisotopicpurity
  • Methyl-d<sub>3</sub> cyanide
  • Perdeuterioacetonitrile
  • Perdeuteroacetonitrile
  • Trideuterioacetonitrile
  • Trideuteroacetonitrile
  • d<sub>3</sub>-Acetonitrile
  • See more synonyms
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