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CS-W001157 4
Total: USD 88.00

5-(Trifluoromethyl)isobenzofuran-1(3H)-one

  • CAS No. 64372-57-2

  • Cat. No. CS-0199908
  • Purity≥97%
  • MDL No.None

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

5-(Trifluoromethyl)isobenzofuran-1(3H)-one|CS-0199908

Structure of 64372-57-2

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General Information

  • CAS No. 64372-57-2
  • Cat. No. CS-0199908
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃O₂
  • Molecular Weight 202.13
  • Synonym(s) 5-(trifluoromethyl)-3H-2-benzofuran-1-one
  • SMILES C1=C(C=C2COC(=O)C2=C1)C(F)(F)F

Synthesis

  • Route1

    References

    • Zhang, Yang-Hui; Shi, Bing-Feng; Yu, Jin-Quan Angewandte Chemie, International Edition, 2009 , vol. 48, # 33 p. 6097 - 6100 Angewandte Chemie, 2009 , vol. 121, # 33 p. 6213 - 6216
  • Route2
    • null|null
      1225544-95-5
    • ~87%
    • 5-(Trifluoromethyl)isobenzofuran-1(3H)-one|CS-0199908
      64372-57-2

    References

    • Faigl, Ferenc; Thurner, Angelika; Molnar, Balazs; Simig, Gyula; Volk, Balazs Organic Process Research and Development, 2010 , vol. 14, # 3 p. 617 - 622
  • Route3
    • 5-(Trifluoromethyl)isobenzofuran-1,3-dione|CS-0312160
      26238-14-2
    • ~%
    • 5-(Trifluoromethyl)isobenzofuran-1(3H)-one|CS-0199908
      64372-57-2
    • 6-(Trifluoromethyl)isobenzofuran-1(3h)-one|CS-0875134
      481075-47-2

    References

    • Nandhikonda, Premchendar; Heagy, Michael D. Organic Letters, 2010 , vol. 12, # 21 p. 4796 - 4799

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   26.3
  • LogP   2.3758
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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