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CS-W001157 4
Total: USD 88.00

1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione

  • CAS No. 258346-69-9

  • Cat. No. CS-0161926
  • Purity≥98%
  • MDL No.MFCD07772941

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

1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione|CS-0161926

Structure of 258346-69-9

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General Information

  • CAS No. 258346-69-9
  • Cat. No. CS-0161926
  • Purity ≥98%
  • MDL No. MFCD07772941
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉F₃O₂
  • Molecular Weight 230.18
  • Synonym(s) 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
  • SMILES CC(CC(C1=CC=C(C(F)(F)F)C=C1)=O)=O

Synthesis

  • Route1

    References

    • Binggeli, Alfred; Boehringer, Markus; Grether, Uwe; Hilpert, Hans; Maerki, Hans-Peter; Meyer, Markus; Mohr, Peter; Ricklin, Fabienne Patent: US2003/55265 A1, 2003 ;
  • Route2

    References

    • Han, Xiaoqing; Widenhoefer, Ross A. Journal of Organic Chemistry, 2004 , vol. 69, # 5 p. 1738 - 1740
  • Route3
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    • 1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione|CS-0161926
      258346-69-9

    References

    • Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Krautscheid, Harald Organic and Biomolecular Chemistry, 2010 , vol. 8, # 3 p. 698 - 705

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.8672
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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