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CS-W001157 4
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1-(2,3-Dihydroindol-1-yl)-2,2,2-trifluoroethanone

  • CAS No. 90732-28-8

  • Cat. No. CS-0003911
  • Purity95+%
  • MDL No.MFCD00495769

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

1-(2,3-Dihydroindol-1-yl)-2,2,2-trifluoroethanone|CS-0003911

Structure of 90732-28-8

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General Information

  • CAS No. 90732-28-8
  • Cat. No. CS-0003911
  • Purity 95+%
  • MDL No. MFCD00495769
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈F₃NO
  • Molecular Weight 215.17
  • Synonym(s) 2,2,2-Trifluoro-1-indolinylethan-1-one
  • SMILES O=C(C(F)(F)F)N1C2=CC=CC=C2CC1

Synthesis

  • Route1

    References

    • Wyeth Patent: US2009/48282 A1, 2009 ; Location in patent: Page/Page column 17 ;
  • Route2

    References

    • Fraley, Mark E.; Arrington, Kenneth L.; Buser, Carolyn A.; Ciecko, Patrice A.; Coll, Kathleen E.; Fernandes, Christine; Hartman, George D.; Hoffman, William F.; Lynch, Joseph J.; McFall, Rosemary C.; Rickert, Keith; Singh, Romi; Smith, Sheri; Thomas, Kenneth A.; Wong, Bradley K. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 2 p. 351 - 355
  • Route3

    References

    • Wang, Zengxue; Wan, Wen; Jiang, Haizhen; Hao, Jian Journal of Organic Chemistry, 2007 , vol. 72, # 24 p. 9364 - 9367

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.138
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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