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CS-W001157 4
Total: USD 88.00

5-(4-Nitrophenyl)-1H-pyrazole-3-carboxylic acid

  • CAS No. 189083-63-4

  • Cat. No. CS-0122797
  • Molecule weight233.18
  • Purity≥97%
  • MDL No.MFCD03086935

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

5-(4-Nitrophenyl)-1H-pyrazole-3-carboxylic acid|CS-0122797

Structure of 189083-63-4

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General Information

  • CAS No. 189083-63-4
  • Cat. No. CS-0122797
  • Purity ≥97%
  • MDL No. MFCD03086935
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇N₃O₄
  • Molecular Weight 233.18
  • Synonym(s) TOS-BB-0273
  • SMILES O=C(C1=NNC(C2=CC=C([N+]([O-])=O)C=C2)=C1)O

Synthesis

  • Route1
    • Ethyl 5-(4-nitrophenyl)-1H-pyrazole-3-carboxylate|CS-0122761
      854700-38-2
    • ~%
    • 5-(4-Nitrophenyl)-1H-pyrazole-3-carboxylic acid|CS-0122797
      189083-63-4

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 14 p. 4138 - 4140
  • Route2
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~%
    • 5-(4-Nitrophenyl)-1H-pyrazole-3-carboxylic acid|CS-0122797
      189083-63-4

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 14 p. 4138 - 4140

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

Quality Control

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Computational Chemistry Data

  • TPSA   109.12
  • LogP   1.6831
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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