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CS-W001157 4
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2-(2,2,2-Trifluoroacetyl)cycloheptan-1-one

  • CAS No. 82726-77-0

  • Cat. No. CS-0364310
  • Purity95+%
  • MDL No.None

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

2-(2,2,2-Trifluoroacetyl)cycloheptan-1-one|CS-0364310

Structure of 82726-77-0

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General Information

  • CAS No. 82726-77-0
  • Cat. No. CS-0364310
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁F₃O₂
  • Molecular Weight 208.18
  • Synonym(s) 2-(Trifluoroacetyl)cycloheptanone
  • SMILES O=C1C(C(C(F)(F)F)=O)CCCCC1

Synthesis

  • Route1
    • null|null
      383-63-1
    • null|null
      502-42-1
    • ~52%
    • 2-(2,2,2-Trifluoroacetyl)cycloheptan-1-one|CS-0364310
      82726-77-0

    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

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.2672
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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