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CS-W001157 4
Total: USD 88.00

1-(3,5-Bis(trifluoromethyl)phenyl)ethanol

  • CAS No. 368-63-8

  • Cat. No. CS-W012543
  • Purity≥98%
  • MDL No.MFCD01632521

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

1-(3,5-Bis(trifluoromethyl)phenyl)ethanol|CS-W012543

Structure of 368-63-8

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General Information

  • CAS No. 368-63-8
  • Cat. No. CS-W012543
  • Purity ≥98%
  • MDL No. MFCD01632521
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈F₆O
  • Molecular Weight 258.16
  • Synonym(s) α-Methyl-3,5-bis(trifluoromethyl)benzyl alcohol
  • SMILES CC(O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

Synthesis

  • Route1
    • 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone Aprepitant Impurity|CS-0228740
      30071-93-3
    • rel-(1R,2S)-1-Amino-2,3-dihydro-1H-inden-2-ol|CS-0147143
      7480-35-5
    • ~75%
    • In-stock
      1-(3,5-Bis(trifluoromethyl)phenyl)ethanol|CS-W012543
      368-63-8

    References

    • Brands, Karel M. Jos; Payack, Joseph F.; Pye, Philip J. Patent: US2002/52493 A1, 2002 ;
  • Route2
    • 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone Aprepitant Impurity|CS-0228740
      30071-93-3
    • ~99%
    • In-stock
      1-(3,5-Bis(trifluoromethyl)phenyl)ethanol|CS-W012543
      368-63-8

    References

    • Zuo, Weiwei; Lough, Alan J.; Li, Young Feng; Morris, Robert H. Science, 2013 , vol. 342, # 6162 p. 1080 - 1083
  • Route3
    • 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone Aprepitant Impurity|CS-0228740
      30071-93-3
    • ~99%
    • In-stock
      (S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanol|CS-0077092
      225920-05-8
    • In-stock
      1-(3,5-Bis(trifluoromethyl)phenyl)ethanol|CS-W012543
      368-63-8

    References

    • Reichard, Gregory A.; Stengone, Carmine; Paliwal, Sunil; Mergelsberg, Ingrid; Majmundar, Sapna; Wang, Cheng; Tiberi, Robert; McPhail, Andrew T.; Piwinski, John J.; Shih, Neng-Yang Organic Letters, 2003 , vol. 5, # 23 p. 4249 - 4251

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   20.23
  • LogP   3.7775
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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