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2,2,2-Trifluoro-1-(2-hydroxy-5-methylphenyl)ethan-1-one

  • CAS No. 70978-57-3

  • Cat. No. CS-0280294
  • Purity≥98%
  • MDL No.None

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

2,2,2-Trifluoro-1-(2-hydroxy-5-methylphenyl)ethan-1-one|CS-0280294

Structure of 70978-57-3

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General Information

  • CAS No. 70978-57-3
  • Cat. No. CS-0280294
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₂
  • Molecular Weight 204.15
  • Synonym(s) 2,2,2-Trifluoro-1-(2-hydroxy-5-methylphenyl)ethanone
  • SMILES CC1=CC(=C(C=C1)O)C(=O)C(F)(F)F

Synthesis

  • Route1
    • 4-Methylphenyl trifluoroacetate|CS-0709988
      1813-29-2
    • ~35%
    • null|null
      1190130-59-6
    • 2,2,2-Trifluoro-1-(2-hydroxy-5-methylphenyl)ethan-1-one|CS-0280294
      70978-57-3

    References

    • Sevenard, Dmitri V.; Vorobyev, Mikhail; Sosnovskikh, Vyacheslav Ya.; Wessel, Helma; Kazakova, Olesya; Vogel, Vera; Shevchenko, Nikolay E.; Nenajdenko, Valentine G.; Lork, Enno; Roeschenthaler, Gerd-Volker Tetrahedron, 2009 , vol. 65, # 36 p. 7538 - 7552
  • Route2

    References

    • May and Baker Patent: DE2846931 , 1979 ; Chem.Abstr., 1979 , vol. 91, # 74626

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.44562
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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