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5-Methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

  • CAS No. 6402-09-1

  • Cat. No. CS-0152727
  • Purity≥98%
  • MDL No.None

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

5-Methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one|CS-0152727

Structure of 6402-09-1

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General Information

  • CAS No. 6402-09-1
  • Cat. No. CS-0152727
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃O₃
  • Molecular Weight 219.20
  • Synonym(s) 3-Methyl-1-(4-nitrophenyl)-5-pyrazolone
  • SMILES CC1=NN(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C1

Synthesis

  • Route1

    References

    • US5869516 A1, ; US 5869516 A
  • Route2

    References

    • European Journal of Organic Chemistry, , # 9 p. 1631 - 1634
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 24, # 1 p. 149 - 153

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   75.81
  • LogP   1.7074
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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