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CS-W001157 4
Total: USD 88.00

5-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid

  • CAS No. 5334-38-3

  • Cat. No. CS-0206578
  • Molecule weight171.11
  • Purity95+%
  • MDL No.MFCD08456975

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

5-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid|CS-0206578

Structure of 5334-38-3

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General Information

  • CAS No. 5334-38-3
  • Cat. No. CS-0206578
  • Purity 95+%
  • MDL No. MFCD08456975
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₄
  • Molecular Weight 171.11
  • Synonym(s) 5-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid
  • SMILES CC1=C(C(=NN1)C(=O)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Zhang, Da Qiang; Xu, Gao Fei; Fan, Zhi Jin; Wang, Dao Quan; Yang, Xin Ling; Yuan, De Kai Chinese Chemical Letters, 2012 , vol. 23, # 6 p. 669 - 672
  • Route2

    References

    • Zhang, Da Qiang; Xu, Gao Fei; Fan, Zhi Jin; Wang, Dao Quan; Yang, Xin Ling; Yuan, De Kai Chinese Chemical Letters, 2012 , vol. 23, # 6 p. 669 - 672
  • Route3

    References

    • Musante Gazzetta Chimica Italiana, 1945 , vol. 75, p. 121,133

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   109.12
  • LogP   0.32452
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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