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CAS 68239-25-8

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N-(4-Nitrophenyl-2,3,5,6-d4)acetamide

Description:
N-(4-Nitrophenyl-2,3,5,6-d4)acetamide is a deuterated derivative of acetamide, characterized by the presence of a nitrophenyl group and deuterium isotopes at specific positions on the aromatic ring. The compound features a nitro group (-NO2) attached to the para position of the phenyl ring, which influences its electronic properties and reactivity. The deuteration at the 2, 3, 5, and 6 positions of the phenyl ring enhances its stability and alters its physical properties, such as solubility and boiling point, compared to its non-deuterated counterpart. This compound is often used in research applications, particularly in studies involving isotopic labeling, as it can help trace reaction pathways or mechanisms. Its CAS number, 68239-25-8, uniquely identifies this specific chemical substance in chemical databases. Overall, N-(4-Nitrophenyl-2,3,5,6-d4)acetamide serves as a valuable tool in both synthetic chemistry and analytical applications.
Formula:C8H4D4N2O3
InChI:InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)/i2D,3D,4D,5D
InChI key:InChIKey=NQRLPDFELNCFHW-QFFDRWTDSA-N
SMILES:N(C(C)=O)C1=C(C(=C(N(=O)=O)C(=C1[2H])[2H])[2H])[2H]
Synonyms:
  • 4'-Nitro-2',3',5',6'-tetradeuteroacetanilide
  • Acetamide, N-(4-nitrophenyl-2,3,5,6-d4)-
  • Acetamide, N-(4-nitrophenyl-2,3,5,6-d<sub>4</sub>)-
  • N-(4-Nitrophenyl-2,3,5,6-d<sub>4</sub>)acetamide
  • N-[4-nitro(~2~H_4_)phenyl]acetamide
  • N-(4-Nitrophenyl-2,3,5,6-d4)acetamide
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