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CS-W001157 4
Total: USD 88.00

5-(2-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione

  • CAS No. 55579-73-2

  • Cat. No. CS-D0082
  • Purity≥96%
  • MDL No.MFCD03844403

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

5-(2-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione|CS-D0082

Structure of 55579-73-2

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General Information

  • CAS No. 55579-73-2
  • Cat. No. CS-D0082
  • Purity ≥96%
  • MDL No. MFCD03844403
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁F₃O₂
  • Molecular Weight 256.22
  • Synonym(s) 5-[2-(trifluoroMethyl)phenyl]-1,3-Cyclohexanedione
  • SMILES O=C1CC(CC(C2=CC=CC=C2C(F)(F)F)C1)=O

Synthesis

  • Route1
    • 4-[2-(Trifluoromethyl)phenyl]-3-buten-2-one|CS-0783226
      76293-37-3
    • null|null
      105-53-3
    • ~%
    • In-stock
      5-(2-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione|CS-D0082
      55579-73-2

    References

    • Zhang, Wei; Benmohamed, Radhia; Arvanites, Anthony C.; Morimoto, Richard I.; Ferrante, Robert J.; Kirsch, Donald R.; Silverman, Richard B. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 2 p. 1029 - 1045
  • Route2

    References

    • Kesten, Stephen J.; Degnan, Margaret J.; Hung, Jocelyn; McNamara, Dennis J.; Ortwine, Daniel F.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 19 p. 3429 - 3447
  • Route3
    • 4-[2-(Trifluoromethyl)phenyl]-3-buten-2-one|CS-0783226
      76293-37-3
    • ~%
    • In-stock
      5-(2-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione|CS-D0082
      55579-73-2

    References

    • Kesten, Stephen J.; Degnan, Margaret J.; Hung, Jocelyn; McNamara, Dennis J.; Ortwine, Daniel F.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 19 p. 3429 - 3447

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   34.14
  • LogP   3.1111
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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