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5-Bromo-2-ethoxybenzotrifluoride

  • CAS No. 914635-58-8

  • Cat. No. CS-0193233
  • Purity≥98%
  • MDL No.None

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

5-Bromo-2-ethoxybenzotrifluoride|CS-0193233

Structure of 914635-58-8

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General Information

  • CAS No. 914635-58-8
  • Cat. No. CS-0193233
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrF₃O
  • Molecular Weight 269.06
  • Synonym(s) 4-broMo-2-(trifluoroMethyl)phenetole
  • SMILES CCOC1=C(C=C(C=C1)Br)C(F)(F)F

Synthesis

  • Route1

    References

    • N.V. ORGANON Patent: WO2007/80191 A1, 2007 ; Location in patent: Page/Page column 14-15 ; WO 2007/080191 A1
  • Route2

    References

    • Cai, Jiaqiang; Fradera, Xavier; Van Zeeland, Mario; Dempster, Maureen; Cameron, Kenneth S.; Bennett, D. Jonathan; Robinson, John; Popplestone, Lucy; Baugh, Mark; Westwood, Paul; Bruin, John; Hamilton, William; Kinghorn, Emma; Long, Clive; Uitdehaag, Joost C.M. Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 15 p. 4507 - 4510

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.8666
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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