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CS-W001157 4
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4-Oxo-1-(2-(trifluoromethyl)phenyl)cyclohexane-1-carbonitrile

  • CAS No. 943326-34-9

  • Cat. No. CS-0462441
  • Purity≥98%
  • MDL No.MFCD11849776

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

4-Oxo-1-(2-(trifluoromethyl)phenyl)cyclohexane-1-carbonitrile|CS-0462441

Structure of 943326-34-9

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General Information

  • CAS No. 943326-34-9
  • Cat. No. CS-0462441
  • Purity ≥98%
  • MDL No. MFCD11849776
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂F₃NO
  • Molecular Weight 267.25
  • Synonym(s) 4-Oxo-1-(2-(trifluoromethyl)phenyl)cyclohexanecarbonitrile
  • SMILES C1=CC=C(C(=C1)C2(CCC(=O)CC2)C#N)C(F)(F)F

Synthesis

  • Route1
    • null|null
      943326-33-8
    • ~59%
    • 4-Oxo-1-(2-(trifluoromethyl)phenyl)cyclohexane-1-carbonitrile|CS-0462441
      943326-34-9

    References

    • Su, Dai-Shi; Lim, John L.; Markowitz, M. Kristine; Wan, Bang-Lin; Murphy, Kathy L.; Reiss, Duane R.; Harrell, C. Meacham; O'Malley, Stacy S.; Ransom, Rick W.; Chang, Raymond S.L.; Pettibone, Douglas J.; Tang, Cuyue; Prueksaritanont, Thomayant; Freidinger, Roger M.; Bock, Mark G. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 11 p. 3006 - 3009

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   3.60988
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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