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CS-W001157 4
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N-(4-nitrobenzyl)acetamide

  • CAS No. 56222-10-7

  • Cat. No. CS-0322916
  • Molecule weight194.19
  • Purity≥97%
  • MDL No.None

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

N-(4-nitrobenzyl)acetamide|CS-0322916

Structure of 56222-10-7

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General Information

  • CAS No. 56222-10-7
  • Cat. No. CS-0322916
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂O₃
  • Molecular Weight 194.19
  • Synonym(s) N-[(4-nitrophenyl)methyl]ethanamide
  • SMILES CC(NCC1=CC=C([N+]([O-])=O)C=C1)=O

Synthesis

  • Route1

    References

    • PHARMACOPEIA, INC. Patent: WO2007/104053 A2, 2007 ; Location in patent: Page/Page column 44 ; WO 2007/104053 A2
  • Route2

    References

    • King; Rathore; Lam; Guo; Klassen Journal of the American Chemical Society, 1992 , vol. 114, # 8 p. 3028 - 3033
  • Route3
    • null|null
      7409-30-5
    • null|null
      108-24-7
    • ~92%
    • N-(4-nitrobenzyl)acetamide|CS-0322916
      56222-10-7

    References

    • Darbeau, Ron W.; White, Emu H.; Song, Fenhong; Darbeau, Nyla R.; Chou, James Journal of Organic Chemistry, 1999 , vol. 64, # 16 p. 5966 - 5978

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   1.2309
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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