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CS-W001157 4
Total: USD 88.00

2-(Trifluoromethyl)cycloheptan-1-one

  • CAS No. 60719-13-3

  • Cat. No. CS-0258990
  • Purity≥97%
  • MDL No.None

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

2-(Trifluoromethyl)cycloheptan-1-one|CS-0258990

Structure of 60719-13-3

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General Information

  • CAS No. 60719-13-3
  • Cat. No. CS-0258990
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁F₃O
  • Molecular Weight 180.17
  • Synonym(s) 2-Trifluoromethylcycloheptanone
  • SMILES O=C1C(C(F)(F)F)CCCCC1

Synthesis

  • Route1
    • null|null
      2314-97-8
    • null|null
      502-42-1
    • ~59%
    • 2-(Trifluoromethyl)cycloheptan-1-one|CS-0258990
      60719-13-3

    References

    • Itoh, Yoshimitsu; Mikami, Koichi Organic Letters, 2005 , vol. 7, # 4 p. 649 - 651
  • Route2
    • null|null
      2314-97-8
    • null|null
      22081-48-7
    • ~42%
    • 2-(Trifluoromethyl)cycloheptan-1-one|CS-0258990
      60719-13-3

    References

    • Tomita, Yuichi; Itoh, Yoshimitsu; Mikami, Koichi Chemistry Letters, 2008 , vol. 37, # 10 p. 1080 - 1081
  • Route3
    • null|null
      371-67-5
    • null|null
      108-94-1
    • ~%
    • 2-(Trifluoromethyl)cycloheptan-1-one|CS-0258990
      60719-13-3

    References

    • Mock,W.L.; Hartman,M.E. Journal of Organic Chemistry, 1977 , vol. 42, p. 459 - 465

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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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   17.07
  • LogP   2.6981
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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