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CS-W001157 4
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3-Methyl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-5-one

  • CAS No. 321-05-1

  • Cat. No. CS-0218543
  • Molecule weight242.20
  • Purity≥97%
  • MDL No.MFCD00443909

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

3-Methyl-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-5-one|CS-0218543

Structure of 321-05-1

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General Information

  • CAS No. 321-05-1
  • Cat. No. CS-0218543
  • Purity ≥97%
  • MDL No. MFCD00443909
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉F₃N₂O
  • Molecular Weight 242.20
  • Synonym(s) 5-Methyl-2-(3-trifluoromethyl-phenyl)-2,4-dihydro-pyrazol-3-one
  • SMILES CC1=NN(C2=CC=CC(=C2)C(F)(F)F)C(=O)C1

Synthesis

  • Route1

    References

    • Duffy; Darcy; Delorme; Dillon; Eppley; Erickson-Miller; Giampa; Hopson; Huang; Keenan; Lamb; Leong; Liu; Miller; Price; Rosen; Shah; Shaw; Smith; Stark; Tian; Tyree; Wiggall; Zhang; Luengo Journal of Medicinal Chemistry, 2001 , vol. 44, # 22 p. 3730 - 3745

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   2.818
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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