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4-hydroxy-6-nitroquinoline-3-carbonitrile

  • CAS No. 2305-65-9

  • Cat. No. CS-0001282
  • Molecule weight215.17
  • Purity≥98%
  • MDL No.MFCD13181185

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

4-hydroxy-6-nitroquinoline-3-carbonitrile|CS-0001282

Structure of 2305-65-9

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General Information

  • CAS No. 2305-65-9
  • Cat. No. CS-0001282
  • Purity ≥98%
  • MDL No. MFCD13181185
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅N₃O₃
  • Molecular Weight 215.17
  • Synonym(s) 6-nitro-4-oxo-1,4-dihydro-quinoline-3-carbonitrile
  • SMILES N#CC(C=NC1=CC=C([N+]([O-])=O)C=C12)=C2O

Synthesis

  • Route1
    • null|null
      57338-24-6
    • ~%
    • 4-hydroxy-6-nitroquinoline-3-carbonitrile|CS-0001282
      2305-65-9

    References

    • ZHANG, Dawei Patent: WO2013/152135 A1, 2013 ; Location in patent: Paragraph 0054 ;
  • Route2
    • null|null
      100-01-6
    • ~%
    • 4-hydroxy-6-nitroquinoline-3-carbonitrile|CS-0001282
      2305-65-9

    References

    • ZHANG, Dawei Patent: WO2013/152135 A1, 2013 ;
  • Route3
    • null|null
      57338-20-2
    • ~%
    • 4-hydroxy-6-nitroquinoline-3-carbonitrile|CS-0001282
      2305-65-9

    References

    • Kaila, Neelu; Green, Neal; Li, Huan-Qiu; Hu, Yonghan; Janz, Kristin; Gavrin, Lori Krim; Thomason, Jennifer; Tam, Steve; Powell, Dennis; Cuozzo, John; Hall, J. Perry; Telliez, Jean-Baptiste; Hsu, Sang; Nickerson-Nutter, Cheryl; Wang, Qin; Lin, Lih-Ling Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 19 p. 6425 - 6442

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   100.05
  • LogP   1.72028
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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