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1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethan-1-one

  • CAS No. 886364-50-7

  • Cat. No. CS-0199943
  • Molecule weight254.00
  • Purity≥98%
  • MDL No.None

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

1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethan-1-one|CS-0199943

Structure of 886364-50-7

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General Information

  • CAS No. 886364-50-7
  • Cat. No. CS-0199943
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrF₃NO
  • Molecular Weight 254.00
  • Synonym(s) 1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethanone
  • SMILES C1=CC(=NC=C1Br)C(=O)C(F)(F)F

Synthesis

  • Route1
    • null|null
      407-38-5
    • ~%
    • 1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethan-1-one|CS-0199943
      886364-50-7

    References

    • MERCK FROSST CANADA LTD. Patent: WO2006/133559 A1, 2006 ; Location in patent: Page/Page column 38 ; WO 2006/133559 A1
  • Route2

    References

    • Curtis, Michael; Duclos, Brian A.; Ewin, Richard A.; Johnson, Paul D.; Johnson, Timothy Allen; Vairagoundar, Rajendran; Billen, Denis; Goodwin, Richard M.; Haber-Stuk, Andrea K.; Kyne, Graham M.; Sheehan, Susan M. K. Patent: US2013/237502 A1, 2013 ; Location in patent: Paragraph 0397 ;
  • Route3

    References

    • Cheng, Huicheng; Pei, Yu; Leng, Faqiang; Li, Jingya; Liang, Apeng; Zou, Dapeng; Wu, Yangjie; Wu, Yusheng Tetrahedron Letters, 2013 , vol. 54, # 33 p. 4483 - 4486

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.5891
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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