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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 51818-98-5

  • Cat. No. CS-0319933
  • Purity95+%
  • MDL No.None

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

N-(4-formyl-2-nitrophenyl)acetamide|CS-0319933

Structure of 51818-98-5

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General Information

  • CAS No. 51818-98-5
  • Cat. No. CS-0319933
  • Purity 95+%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₄
  • Molecular Weight 208.17
  • Synonym(s) N-(4-formyl-2-nitro-phenyl)acetamide
  • SMILES CC(NC1=C([N+]([O-])=O)C=C(C=O)C=C1)=O

Synthesis

  • Route1

    References

    • ABBOTT LABORATORIES Patent: WO2004/76424 A1, 2004 ; Location in patent: Page 326-327 ; WO 2004/076424 A1
  • Route2
    • null|null
      73166-06-0
    • ~83%
    • N-(4-formyl-2-nitrophenyl)acetamide|CS-0319933
      51818-98-5

    References

    • Safonov, Igor G.; Heerding, Dirk A.; Keenan, Richard M.; Price, Alan T.; Erickson-Miller, Connie L.; Hopson, Christopher B.; Levin, Jenna L.; Lord, Kenneth A.; Tapley, Peter M. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 5 p. 1212 - 1216
  • Route3
    • 4-Acetamido-3-nitrobenzoic acid|CS-0204510
      1539-06-6
    • ~%
    • N-(4-formyl-2-nitrophenyl)acetamide|CS-0319933
      51818-98-5

    References

    • Safonov, Igor G.; Heerding, Dirk A.; Keenan, Richard M.; Price, Alan T.; Erickson-Miller, Connie L.; Hopson, Christopher B.; Levin, Jenna L.; Lord, Kenneth A.; Tapley, Peter M. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 5 p. 1212 - 1216

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.31
  • LogP   1.3657
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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