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CS-W001157 4
Total: USD 88.00

1,3-Dimethyl-4-nitro-1h-pyrazole-5-carboxylic acid

  • CAS No. 3920-37-4

  • Cat. No. CS-0250719
  • Purity95+%
  • MDL No.None

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

1,3-Dimethyl-4-nitro-1h-pyrazole-5-carboxylic acid|CS-0250719

Structure of 3920-37-4

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General Information

  • CAS No. 3920-37-4
  • Cat. No. CS-0250719
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O₄
  • Molecular Weight 185.14
  • Synonym(s) 2,5-dimethyl-4-nitro-3-pyrazolecarboxylic acid
  • SMILES CC1=NN(C)C(=C1[N+](=O)[O-])C(=O)O

Synthesis

  • Route1

    References

    • Lee, Wendy; Ortwine, Daniel F.; Bergeron, Philippe; Lau, Kevin; Lin, Lichuan; Malek, Shiva; Nonomiya, Jim; Pei, Zhonghua; Robarge, Kirk D.; Schmidt, Stephen; Sideris, Steve; Lyssikatos, Joseph P. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 18 p. 5097 - 5104
  • Route2
    • Methyl 1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylate|CS-0970528
      78208-69-2
    • ~67%
    • 1,3-Dimethyl-4-nitro-1h-pyrazole-5-carboxylic acid|CS-0250719
      3920-37-4

    References

    • Baraldi; Leoni; Cacciari; Manfredini; Simoni; Bergomi; Menta; Spinelli Journal of Medicinal Chemistry, 1994 , vol. 37, # 25 p. 4329 - 4337
  • Route3
    • 4-Iodo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid|CS-0080803
      67208-10-0
    • ~62%
    • 1,3-Dimethyl-4-nitro-1h-pyrazole-5-carboxylic acid|CS-0250719
      3920-37-4

    References

    • Tret'yakov; Vasilevsky Russian Chemical Bulletin, 1996 , vol. 45, # 11 p. 2581 - 2584

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   98.26
  • LogP   0.33492
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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