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2-Oxo-2-(3-(trifluoromethyl)phenyl)acetic acid

  • CAS No. 61560-95-0

  • Cat. No. CS-0433952
  • Purity95+%
  • MDL No.MFCD07777206

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

2-Oxo-2-(3-(trifluoromethyl)phenyl)acetic acid|CS-0433952

Structure of 61560-95-0

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General Information

  • CAS No. 61560-95-0
  • Cat. No. CS-0433952
  • Purity 95+%
  • MDL No. MFCD07777206
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃O₃
  • Molecular Weight 218.13
  • Synonym(s) α-oxo-3-(trifluoromethyl)-Benzeneacetic acid
  • SMILES O=C(O)C(C1=CC=CC(C(F)(F)F)=C1)=O

Synthesis

  • Route1

    References

    • Fujisawa Patent: DE2604207 , 1976 ; Chem.Abstr., 1977 , vol. 86, # 55465
  • Route2
    • Ethyl 2-oxo-2-(3-(trifluoromethyl)phenyl)acetate|CS-0127687
      110193-60-7
    • ~%
    • 2-Oxo-2-(3-(trifluoromethyl)phenyl)acetic acid|CS-0433952
      61560-95-0

    References

    • Hewawasam, Piyasena; Erway, Matthew; Thalody, George; Weiner, Harvey; Boissard, Christopher G.; Gribkoff, Valentin K.; Meanwell, Nicholas A.; Lodge, Nicholas; Starrett, Jr, John E. Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 7 p. 1117 - 1120
  • Route3

    References

    • Hewawasam, Piyasena; Erway, Matthew; Thalody, George; Weiner, Harvey; Boissard, Christopher G.; Gribkoff, Valentin K.; Meanwell, Nicholas A.; Lodge, Nicholas; Starrett, Jr, John E. Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 7 p. 1117 - 1120

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.9727
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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