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CS-W001157 4
Total: USD 88.00

1-methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid Sildenafil Impurity

  • CAS No. 139756-00-6

  • Cat. No. CS-0166496
  • Purity95+%
  • MDL No.MFCD02110857

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

1-methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid  Sildenafil Impurity|CS-0166496

Structure of 139756-00-6

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General Information

  • CAS No. 139756-00-6
  • Cat. No. CS-0166496
  • Purity 95+%
  • MDL No. MFCD02110857
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁N₃O₄
  • Molecular Weight 213.19
  • Synonym(s) 2-METHYL-4-NITRO-5-PROPYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
  • SMILES O=C(C1=C([N+]([O-])=O)C(CCC)=NN1C)O

Synthesis

  • Route1
    • 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid|CS-0006634
      139755-99-0
    • ~99%
    • 1-methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid  Sildenafil Impurity|CS-0166496
      139756-00-6

    References

    • Kopp; Lancelot; Dallemagne; Rault Journal of Heterocyclic Chemistry, 2001 , vol. 38, # 5 p. 1045 - 1050
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 17 p. 3900 - 3907
  • Route3
    • null|null
      107-87-9
    • ~%
    • 1-methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxylic acid  Sildenafil Impurity|CS-0166496
      139756-00-6

    References

    • Journal of Heterocyclic Chemistry, , vol. 38, # 5 p. 1045 - 1050

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   0.979
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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