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CS-W001157 4
Total: USD 88.00

8-(Trifluoromethyl)chroman-4-one

  • CAS No. 890839-66-4

  • Cat. No. CS-0042089
  • Purity≥97%
  • MDL No.MFCD11506686

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

8-(Trifluoromethyl)chroman-4-one|CS-0042089

Structure of 890839-66-4

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General Information

  • CAS No. 890839-66-4
  • Cat. No. CS-0042089
  • Purity ≥97%
  • MDL No. MFCD11506686
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇F₃O₂
  • Molecular Weight 216.16
  • Synonym(s) 8-Trifluoromethyl-chroman-4-one
  • SMILES O=C1CCOC2=C1C=CC=C2C(F)(F)F

Synthesis

  • Route1
    • null|null
      890839-64-2
    • ~31%
    • In-stock
      8-(Trifluoromethyl)chroman-4-one|CS-0042089
      890839-66-4

    References

    • ABBVIE INC.; Woller, Kevin R.; Gfesser, Gregory A.; Liu, Huaqing; Daanen, Jerome F.; Voight, Eric A.; Drizin, Irene I.; Shrestha, Anurupa; Mortell, Kathleen H.; Kym, Philip R.; Kort, Michael E.; Gomtsyan, Arthur Patent: US2013/158067 A1, 2013 ; Location in patent: Paragraph 0378 ;
  • Route2
    • 1-(Prop-2-yn-1-yloxy)-2-(trifluoromethyl)benzene|CS-1052301
      890839-62-0
    • ~%
    • In-stock
      8-(Trifluoromethyl)chroman-4-one|CS-0042089
      890839-66-4

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 5 p. 1338 - 1341
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 5 p. 1338 - 1341

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.6706
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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