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CS-W001157 4
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1-[4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-one

  • CAS No. 76579-44-7

  • Cat. No. CS-0216716
  • Molecule weight218.17
  • Purity95+%
  • MDL No.MFCD00511895

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

1-[4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-one|CS-0216716

Structure of 76579-44-7

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General Information

  • CAS No. 76579-44-7
  • Cat. No. CS-0216716
  • Purity 95+%
  • MDL No. MFCD00511895
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₂
  • Molecular Weight 218.17
  • Synonym(s) 1-[4-(2,2,2-trifluoroethoxy)phenyl]ethanone
  • SMILES CC(C1=CC=C(OCC(F)(F)F)C=C1)=O

Synthesis

  • Route1

    References

    • Camps, F.; Coll, J.; Messeguer, A.; Pericas, M, A. Synthesis, 1980 , # 9 p. 727 - 728
  • Route2

    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
  • Route3
    • null|null
      420-87-1
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~9%
    • 1-[4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-one|CS-0216716
      76579-44-7

    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

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8303
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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