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CS-W001157 4
Total: USD 88.00

4-(2,2,2-Trifluoroethoxy)benzonitrile

  • CAS No. 56935-76-3

  • Cat. No. CS-0119927
  • Purity≥98%
  • MDL No.MFCD00511903

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

4-(2,2,2-Trifluoroethoxy)benzonitrile|CS-0119927

Structure of 56935-76-3

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General Information

  • CAS No. 56935-76-3
  • Cat. No. CS-0119927
  • Purity ≥98%
  • MDL No. MFCD00511903
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO
  • Molecular Weight 201.15
  • Synonym(s) p-(2,2,2-Trifluoroethoxy)benzonitrile
  • SMILES N#CC1=CC=C(OCC(F)(F)F)C=C1

Synthesis

  • Route1
    • null|null
      353-83-3
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~85%
    • 4-(2,2,2-Trifluoroethoxy)benzonitrile|CS-0119927
      56935-76-3

    References

    • Kamal, Ahmed; Pratap; Ramana, K.Venkata; Ramana; Babu, A.Hari Tetrahedron Letters, 2002 , vol. 43, # 41 p. 7353 - 7355
  • Route2

    References

    • Idoux, John P.; Gupton, John T.; McCurry, Cynthia K.; Crews, A. Donald; Jurss, Cindy D.; et al. Journal of Organic Chemistry, 1983 , vol. 48, # 21 p. 3771 - 3773
  • Route3

    References

    • Idoux, John P.; Madenwald, Mark L.; Garcia, Brent S.; Chu, Der-Lun; Gupton, John T. Journal of Organic Chemistry, 1985 , vol. 50, # 11 p. 1876 - 1878

Safety Information

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

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.49938
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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