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CS-W001157 4
Total: USD 88.00

2-(Trifluoroacetyl)cyclohexanone

  • CAS No. 387-89-3

  • Cat. No. CS-0206067
  • Molecule weight194.15
  • Purity98+%
  • MDL No.MFCD07779548

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

2-(Trifluoroacetyl)cyclohexanone|CS-0206067

Structure of 387-89-3

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General Information

  • CAS No. 387-89-3
  • Cat. No. CS-0206067
  • Purity 98+%
  • MDL No. MFCD07779548
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉F₃O₂
  • Molecular Weight 194.15
  • Synonym(s) 2-(trifluoroacetyl)cyclohexan-1-one
  • SMILES C1CCC(=O)C(C1)C(=O)C(F)(F)F

Synthesis

  • Route1
    • null|null
      431-47-0
    • null|null
      108-94-1
    • ~47%
    • 2-(Trifluoroacetyl)cyclohexanone|CS-0206067
      387-89-3

    References

    • La Rosa, Salvatore; Benicchi, Tiziana; Bettinetti, Laura; Ceccarelli, Ilaria; Diodato, Enrica; Federico, Cesare; Fiengo, Pasquale; Franceschini, Davide; Gokce, Ozgun; Heitz, Freddy; Lazzeroni, Giulia; Luthi-Carter, Ruth; Magnoni, Letizia; Miragliotta, Vincenzo; Scali, Carla; Valacchi, Michela ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 10 p. 979 - 984
  • Route2
    • null|null
      383-63-1
    • null|null
      108-94-1
    • ~52%
    • 2-(Trifluoroacetyl)cyclohexanone|CS-0206067
      387-89-3

    References

    • Lyga, John W.; Henrie, Robert N.; Meier, Gary A.; Creekmore, R. William; Patera, Russell M. Magnetic Resonance in Chemistry, 1993 , vol. 31, # 4 p. 323 - 328

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   34.14
  • LogP   1.8771
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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