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CS-W001157 4
Total: USD 88.00

INF55

  • CAS No. 4993-87-7

  • Cat. No. CS-0160661
  • Purity≥97%
  • MDL No.MFCD00446220

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

INF55|CS-0160661

Structure of 4993-87-7

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General Information

  • CAS No. 4993-87-7
  • Cat. No. CS-0160661
  • Purity ≥97%
  • MDL No. MFCD00446220
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀N₂O₂
  • Molecular Weight 238.24
  • Synonym(s) None
  • SMILES O=[N+](C1=CC2=C(NC(C3=CC=CC=C3)=C2)C=C1)[O-]

Synthesis

  • Route1

    References

    • ROTTAPHARM SPA Patent: US2005/197331 A1, 2005 ; Location in patent: Page/Page column 15 ;
  • Route2
    • null|null
      500992-02-9
    • ~85%
    • INF55|CS-0160661
      4993-87-7

    References

    • Sun, Li-Ping; Huang, Xiang-Hong; Dai, Wei-Min Tetrahedron, 2004 , vol. 60, # 48 p. 10983 - 10992
  • Route3
    • null|null
      165280-21-7
    • ~87%
    • INF55|CS-0160661
      4993-87-7

    References

    • Sakai, Norio; Annaka, Kimiyoshi; Fujita, Akiko; Sato, Asuka; Konakahara, Takeo Journal of Organic Chemistry, 2008 , vol. 73, # 11 p. 4160 - 4165

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   58.93
  • LogP   3.7431
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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