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5-Nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile

  • CAS No. 320405-84-3

  • Cat. No. CS-0082188
  • Purity≥95%
  • MDL No.MFCD11504985

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

5-Nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0082188

Structure of 320405-84-3

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General Information

  • CAS No. 320405-84-3
  • Cat. No. CS-0082188
  • Purity ≥95%
  • MDL No. MFCD11504985
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃N₃O₃
  • Molecular Weight 165.11
  • Synonym(s) 6-Hydroxy-5-nitronicotinonitrile
  • SMILES N#CC(C=C1[N+]([O-])=O)=CNC1=O

Synthesis

  • Route1

    References

    • Sapegin, Alexander V.; Kalinin, Stanislav A.; Smirnov, Alexey V.; Dorogov, Mikhail V.; Krasavin, Mikhail Tetrahedron, 2014 , vol. 70, # 5 p. 1077 - 1083
  • Route2
    • 5-Nitro-6-oxo-1,6-dihydropyridine-3-carboxamide|CS-0531028
      320405-83-2
    • ~%
    • In-stock
      5-Nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0082188
      320405-84-3

    References

    • US6582351 B1, ;

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-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   99.79
  • LogP   0.15478
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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