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1-Phenyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one

  • CAS No. 64123-72-4

  • Cat. No. CS-0121881
  • Molecule weight202.25
  • Purity≥98%
  • MDL No.MFCD06761689

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

1-Phenyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one|CS-0121881

Structure of 64123-72-4

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General Information

  • CAS No. 64123-72-4
  • Cat. No. CS-0121881
  • Purity ≥98%
  • MDL No. MFCD06761689
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄N₂O
  • Molecular Weight 202.25
  • Synonym(s) 3-isopropyl-1-phenyl-1H-pyrazol-5(4H)-one
  • SMILES O=C1CC(C(C)C)=NN1C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Freidmann; Hansel Archiv der Pharmazie, 1983 , vol. 316, # 8 p. 726 - 727
  • Route2

    References

    • Tan, Jia-Neng; Li, Minghao; Gu, Yanlong Green Chemistry, 2010 , vol. 12, # 5 p. 908 - 914
  • Route3
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    • 1-Phenyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one|CS-0121881
      64123-72-4

    References

    • Tietze, Lutz F.; Evers, Holger; Hippe, Thomas; Steinmetz, Adrian; Toepken, Enno European Journal of Organic Chemistry, 2001 , # 9 p. 1631 - 1634

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   2.4353
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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