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CS-W001157 4
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1-Methyl-4-nitro-1H-pyrazole-5-carboxamide

  • CAS No. 92534-72-0

  • Cat. No. CS-0197515
  • Purity≥95%
  • MDL No.None

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

1-Methyl-4-nitro-1H-pyrazole-5-carboxamide|CS-0197515

Structure of 92534-72-0

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General Information

  • CAS No. 92534-72-0
  • Cat. No. CS-0197515
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₄O₃
  • Molecular Weight 170.13
  • Synonym(s) VITAS-BB TBB008725
  • SMILES CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N

Synthesis

  • Route1

    References

    • Galapagos NV Patent: WO2009/71706 A1, 2009 ; Location in patent: Page/Page column 48-49 ; WO 2009/071706 A1
  • Route2

    References

    • Mitsubishi Tanabe Pharma Corporation Patent: EP1956009 A1, 2008 ; Location in patent: Page/Page column 40 ;
  • Route3

    References

    • Perevalov, V. P.; Andreeva, M. A.; Manaev, Yu. A.; Isaev, Sh. G.; Baryshnenkova, L. I.; Stepanov, B. I. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, # 5 p. 976 - 980 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 5 p. 1073 - 1078

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   104.05
  • LogP   -0.5728
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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