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CS-W001157 4
Total: USD 88.00

(3-Fluoro-4-(trifluoromethoxy)phenyl)methanol

  • CAS No. 886498-99-3

  • Cat. No. CS-0084354
  • Molecule weight210.13
  • Purity≥98%
  • MDL No.MFCD06660204

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

(3-Fluoro-4-(trifluoromethoxy)phenyl)methanol|CS-0084354

Structure of 886498-99-3

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General Information

  • CAS No. 886498-99-3
  • Cat. No. CS-0084354
  • Purity ≥98%
  • MDL No. MFCD06660204
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₄O₂
  • Molecular Weight 210.13
  • Synonym(s) 3-FLUORO-4-(TRIFLUOROMETHOXY)BENZYL ALCOHOL
  • SMILES FC(F)(F)OC1=CC=C(C=C1F)CO

Synthesis

  • Route1
    • Ethyl 3-fluoro-4-(trifluoromethoxy)benzoate|CS-0338804
      1197231-80-3
    • ~90%
    • (3-Fluoro-4-(trifluoromethoxy)phenyl)methanol|CS-0084354
      886498-99-3

    References

    • MITSUBISHI TANABE PHARMA CORPORATION; TSUZUKI, Yasuyuki; SAWAMOTO, Daisuke; SAKAMOTO, Toshiaki; KATO, Taku; NIWA, Yasuki; AWAI, Nobumasa Patent: WO2012/124825 A1, 2012 ; Location in patent: Page/Page column 113 ; WO 2012/124825 A1
  • Route2

    References

    • Cherian, Joseph; Choi, Inhee; Nayyar, Amit; Manjunatha, Ujjini H.; Mukherjee, Tathagata; Lee, Yong Sok; Boshoff, Helena I.; Singh, Ramandeep; Ha, Young Hwan; Goodwin, Michael; Lakshminarayana, Suresh B.; Niyomrattanakit, Pornwaratt; Jiricek, Jan; Ravindran, Sindhu; Dick, Thomas; Keller, Thomas H.; Dartois, Veronique; Barry III, Clifton E. Journal of Medicinal Chemistry, 2011 , vol. 54, # 16 p. 5639 - 5659
  • Route3

    References

    • MITSUBISHI TANABE PHARMA CORPORATION; TSUZUKI, Yasuyuki; SAWAMOTO, Daisuke; SAKAMOTO, Toshiaki; KATO, Taku; NIWA, Yasuki; AWAI, Nobumasa Patent: WO2012/124825 A1, 2012 ; WO 2012/124825 A1

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.46
  • LogP   2.2166
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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