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CS-W001157 4
Total: USD 88.00

6-Nitroquinazolin-4(3H)-one

  • CAS No. 6943-17-5

  • Cat. No. CS-0042921
  • Purity≥97%
  • MDL No.MFCD00137845

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

6-Nitroquinazolin-4(3H)-one|CS-0042921

Structure of 6943-17-5

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General Information

  • CAS No. 6943-17-5
  • Cat. No. CS-0042921
  • Purity ≥97%
  • MDL No. MFCD00137845
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃O₃
  • Molecular Weight 191.15
  • Synonym(s) 6-nitroquinazolin-4(1H)-one
  • SMILES O=C1NC=NC2=C1C=C([N+]([O-])=O)C=C2

Synthesis

  • Route1
    • null|null
      77287-34-4
    • In-stock
      2-Amino-5-nitrobenzoic acid|CS-W020043
      616-79-5
    • ~87%
    • In-stock
      6-Nitroquinazolin-4(3H)-one|CS-0042921
      6943-17-5

    References

    • HANMI PHARM. CO., LTD. Patent: WO2006/71017 A1, 2006 ; Location in patent: Page/Page column 34 ; WO 2006/071017 A1
  • Route2
    • 2-Amino-5-nitrobenzamide|CS-W008532
      16313-65-8
    • null|null
      149-73-5
    • ~86%
    • In-stock
      6-Nitroquinazolin-4(3H)-one|CS-0042921
      6943-17-5

    References

    • Tobe, Masanori; Isobe, Yoshiaki; Tomizawa, Hideyuki; Nagasaki, Takahiro; Takahashi, Hirotada; Fukazawa, Tominaga; Hayashi, Hideya Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 3 p. 383 - 391
  • Route3

    References

    • Aberg, Ola; Langstroema, Bengt Journal of Labelled Compounds and Radiopharmaceuticals, 2012 , vol. 55, # 14 p. 477 - 483

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319
Precautionary Statements : P264-P270-P301+P310-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   88.89
  • LogP   0.8313
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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