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CS-W001157 4
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3-(2,2,2-Trifluoroethoxy)benzonitrile

  • CAS No. 84328-66-5

  • Cat. No. CS-0208833
  • Molecule weight201.15
  • Purity≥98%
  • MDL No.MFCD09907644

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

3-(2,2,2-Trifluoroethoxy)benzonitrile|CS-0208833

Structure of 84328-66-5

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General Information

  • CAS No. 84328-66-5
  • Cat. No. CS-0208833
  • Purity ≥98%
  • MDL No. MFCD09907644
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO
  • Molecular Weight 201.15
  • Synonym(s) UKRORGSYN-BB BBV-088698
  • SMILES N#CC1=CC=CC(OCC(F)(F)F)=C1

Synthesis

  • Route1

    References

    • Gupton, John T.; Idoux, John P.; Colon, Cesar; Rampi, Rick Synthetic Communications, 1982 , vol. 12, # 9 p. 695 - 700
  • 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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Computational Chemistry Data

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

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