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CS-W001157 4
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1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione

  • CAS No. 63458-98-0

  • Cat. No. CS-0239918
  • Molecule weight276.21
  • Purity≥98%
  • MDL No.MFCD01570564

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

1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione|CS-0239918

Structure of 63458-98-0

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General Information

  • CAS No. 63458-98-0
  • Cat. No. CS-0239918
  • Purity ≥98%
  • MDL No. MFCD01570564
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁F₃O₄
  • Molecular Weight 276.21
  • Synonym(s) (3',4'-(OCH3)2C6H3)COCH2COCF3
  • SMILES COC1=C(C=C(C=C1)C(=O)CC(=O)C(F)(F)F)OC

Synthesis

  • Route1
    • null|null
      383-63-1
    • In-stock
      1-(3,4-Dimethoxyphenyl)ethanone|CS-W005151
      1131-62-0
    • ~%
    • In-stock
      1-(3,4-Dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione|CS-0239918
      63458-98-0

    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 : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.408
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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