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CS-W001157 4
Total: USD 88.00

1-(3-Amino-4-nitrophenyl)ethanone

  • CAS No. 79127-41-6

  • Cat. No. CS-0161945
  • Purity≥97%
  • MDL No.MFCD28670263

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

1-(3-Amino-4-nitrophenyl)ethanone|CS-0161945

Structure of 79127-41-6

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General Information

  • CAS No. 79127-41-6
  • Cat. No. CS-0161945
  • Purity ≥97%
  • MDL No. MFCD28670263
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₃
  • Molecular Weight 180.16
  • Synonym(s) 3'-AMINO-4'-NITROACETOPHENONE
  • SMILES CC(C1=CC=C([N+]([O-])=O)C(N)=C1)=O

Synthesis

  • Route1
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    • ~%
    • 1-(3-Amino-4-nitrophenyl)ethanone|CS-0161945
      79127-41-6

    References

    • Slama, James T.; Radziejewski, Czestaw; Oruganti, SubbaRao; Kaiser, E. T. Journal of the American Chemical Society, 1984 , vol. 106, # 22 p. 6778 - 6785
  • Route2

    References

    • Slama, James T.; Radziejewski, Czestaw; Oruganti, SubbaRao; Kaiser, E. T. Journal of the American Chemical Society, 1984 , vol. 106, # 22 p. 6778 - 6785
  • Route3

    References

    • Blau, Lorena; Menegon, Renato Farina; Trossini, Gustavo H. G.; Molino, Joao Vitor Dutra; Vital, Drielli Gomes; Cicarelli, Regina Maria Barretto; Passerini, Gabriela Duo; Bosquesi, Priscila Longhin; Chin, Chung Man European Journal of Medicinal Chemistry, 2013 , vol. 67, p. 142 - 151

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   86.23
  • LogP   1.3796
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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