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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)-1H-pyrazol-5(4H)-one

  • CAS No. 401-73-0

  • Cat. No. CS-0080448
  • Molecule weight152.07
  • Purity≥98%
  • MDL No.MFCD00052748

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

3-(Trifluoromethyl)-1H-pyrazol-5(4H)-one|CS-0080448

Structure of 401-73-0

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General Information

  • CAS No. 401-73-0
  • Cat. No. CS-0080448
  • Purity ≥98%
  • MDL No. MFCD00052748
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃F₃N₂O
  • Molecular Weight 152.07
  • Synonym(s) 3-(Trifluoromethyl)-2-pyrazolin-5-one
  • SMILES O=C1CC(C(F)(F)F)=NN1

Synthesis

  • Route1
    • null|null
      372-31-6
    • ~87%
    • In-stock
      3-(Trifluoromethyl)-1H-pyrazol-5(4H)-one|CS-0080448
      401-73-0

    References

    • Abdou, Ibrahim M.; Saleh, Ayman M.; Zohdi, Hussein F. Molecules, 2004 , vol. 9, # 3 p. 109 - 116

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+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.46
  • LogP   0.4246
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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