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CS-W001157 4
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5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one

  • CAS No. 1691-93-6

  • Cat. No. CS-0198978
  • Purity≥98%
  • MDL No.None

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

5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one|CS-0198978

Structure of 1691-93-6

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General Information

  • CAS No. 1691-93-6
  • Cat. No. CS-0198978
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉F₃N₂O₂
  • Molecular Weight 270.21
  • Synonym(s) 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone
  • SMILES CC1=NN(C2=CC=CC=C2)C(=O)C1C(=O)C(F)(F)F

Synthesis

  • Route1
    • null|null
      354-32-5
    • Edaravone solution|CS-1692864
      89-25-8
    • ~%
    • 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one|CS-0198978
      1691-93-6

    References

    • Journal of Solution Chemistry, , vol. 33, # 8 p. 1017 - 1028

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   49.74
  • LogP   2.1567
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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