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CS-W001157 4
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4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione

  • CAS No. 53764-99-1

  • Cat. No. CS-0153229
  • Purity≥98%
  • MDL No.None

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

4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione|CS-0153229

Structure of 53764-99-1

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General Information

  • CAS No. 53764-99-1
  • Cat. No. CS-0153229
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉F₃O₂
  • Molecular Weight 230.18
  • Synonym(s) 4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione
  • SMILES CC1=CC(=CC=C1)C(=O)CC(=O)C(F)(F)F

Synthesis

  • Route1
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      383-63-1
    • 3'-Methylacetophenone Celecoxib  Impurity|CS-0229272
      585-74-0
    • ~%
    • In-stock
      4,4,4-Trifluoro-1-(m-tolyl)butane-1,3-dione|CS-0153229
      53764-99-1

    References

    • Penning, Thomas D.; Talley, John J.; Bertenshaw, Stephen R.; Carter, Jeffery S.; Collins, Paul W.; Docter, Stephen; Graneto, Matthew J.; Lee, Len F.; Malecha, James W.; Miyashiro, Julie M.; Rogers, Roland S.; Rogier; Yu, Stella S.; Anderson, Gary D.; Burton, Earl G.; Cogburn, J. Nita; Gregory, Susan A.; Koboldt, Carol M.; Perkins, William E.; Seibert, Karen; Veenhuizen, Amy W.; Zhang, Yan Y.; Isakson, Peter C. Journal of Medicinal Chemistry, 1997 , vol. 40, # 9 p. 1347 - 1365

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   34.14
  • LogP   2.69922
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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