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1-(4-Fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

  • CAS No. 100553-83-1

  • Cat. No. CS-0121863
  • Purity≥98%
  • MDL No.MFCD01566940

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

1-(4-Fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one|CS-0121863

Structure of 100553-83-1

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General Information

  • CAS No. 100553-83-1
  • Cat. No. CS-0121863
  • Purity ≥98%
  • MDL No. MFCD01566940
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FN₂O
  • Molecular Weight 192.19
  • Synonym(s) 2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
  • SMILES O=C1CC(C)=NN1C2=CC=C(F)C=C2

Synthesis

  • Route1

    References

    • Tagawa, Yoshinobu; Minami, Shin'ichi; Yoshida, Toshio; Tanaka, Keitaro; Sato, Shuji; Goto, Yoshinobu; Yamagata, Kenji Archiv der Pharmazie (Weinheim, Germany), 2002 , vol. 335, # 2 p. 99 - 103
  • Route2

    References

    • US2007/49574 A1, ; Page/Page column 20-21 ; US 20070049574 A1

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   1.9383
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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