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CS-W001157 4
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4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione

  • CAS No. 77611-51-9

  • Cat. No. CS-0523242
  • Molecule weight222.18
  • Purity≥98%
  • MDL No.MFCD00036246

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

4,4,4-Trifluoro-1-(thiophen-3-yl)butane-1,3-dione|CS-0523242

Structure of 77611-51-9

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General Information

  • CAS No. 77611-51-9
  • Cat. No. CS-0523242
  • Purity ≥98%
  • MDL No. MFCD00036246
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂S
  • Molecular Weight 222.18
  • Synonym(s) 4,4,4-Trifluoro-1-(3-thienyl)-1,3-butanedione
  • SMILES O=C(CC(=O)C(F)(F)F)C1=CSC=C1

Synthesis

  • Route1

    References

    • Yue, Eddy W.; DiMeo, Susan V.; Higley, C. Anne; Markwalder, Jay A.; Burton, Catherine R.; Benfield, Pamela A.; Grafstrom, Robert H.; Cox, Sarah; Muckelbauer, Jodi K.; Smallwood, Angela M.; Chen, Haiying; Chang, Chong-Hwan; Trainor, George L.; Seitz, Steven P. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 343 - 346

Safety Information

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.4523
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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