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CS-W001157 4
Total: USD 88.00

Dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate

  • CAS No. 59694-23-4

  • Cat. No. CS-0051598
  • Purity≥98%
  • MDL No.None

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

Dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate|CS-0051598

Structure of 59694-23-4

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General Information

  • CAS No. 59694-23-4
  • Cat. No. CS-0051598
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₃O₆
  • Molecular Weight 229.15
  • Synonym(s) 4-nitro-1H-pyrazole-3,5-dicarboxylic acid diMethyl ester
  • SMILES O=C(C1=NNC(C(OC)=O)=C1[N+]([O-])=O)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • 4-Nitro-1H-pyrazole-3,5-dicarboxylic acid|CS-0138544
      62078-43-7
    • ~44%
    • Dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate|CS-0051598
      59694-23-4

    References

    • Baraldi; Leoni; Cacciari; Manfredini; Simoni; Bergomi; Menta; Spinelli Journal of Medicinal Chemistry, 1994 , vol. 37, # 25 p. 4329 - 4337
  • Route2

    References

    • Baraldi; Leoni; Cacciari; Manfredini; Simoni; Bergomi; Menta; Spinelli Journal of Medicinal Chemistry, 1994 , vol. 37, # 25 p. 4329 - 4337

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

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Computational Chemistry Data

  • TPSA   124.42
  • LogP   -0.1089
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   3

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