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CS-W001157 4
Total: USD 88.00

N-(4-acetyl-2-nitrophenyl)acetamide

  • CAS No. 7418-44-2

  • Cat. No. CS-0367945
  • Molecule weight222.20
  • Purity95+%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

N-(4-acetyl-2-nitrophenyl)acetamide|CS-0367945

Structure of 7418-44-2

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General Information

  • CAS No. 7418-44-2
  • Cat. No. CS-0367945
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₄
  • Molecular Weight 222.20
  • Synonym(s) N-acetyl-3-nitro-4-aminoacetophenone
  • SMILES CC(NC1=CC=C(C(C)=O)C=C1[N+]([O-])=O)=O

Synthesis

  • Route1
    • null|null
      108-24-7
    • 1-(4-Aminophenyl)ethanone Clenbuterol Impurity|CS-0229065
      99-92-3
    • ~73%
    • N-(4-acetyl-2-nitrophenyl)acetamide|CS-0367945
      7418-44-2

    References

    • Lu, Yang; Li, Yaming; Zhang, Rong; Jin, Kun; Duan, Chunying Tetrahedron, 2013 , vol. 69, # 45 p. 9422 - 9427
  • Route2

    References

    • Kuehler, Thomas C.; Swanson, Marianne; Shcherbuchin, Vladimir; Larsson, Hakan; Mellgard, Bjoern; Sjoestroem, Jan-Eric Journal of Medicinal Chemistry, 1998 , vol. 41, # 11 p. 1777 - 1788
  • Route3
    • null|null
      3663-33-0
    • ~68%
    • N-(4-acetyl-2-nitrophenyl)acetamide|CS-0367945
      7418-44-2

    References

    • Khan, Abu T.; Parvin, Tasneem; Choudhury, Lokman H.; Ghosh, Subrata Tetrahedron Letters, 2007 , vol. 48, # 13 p. 2271 - 2274

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   89.31
  • LogP   1.7558
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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