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Ethyl 3-bromo-5-fluorobenzoate

  • CAS No. 353743-43-8

  • Cat. No. CS-0194411
  • Purity95+%
  • MDL No.None

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

Ethyl 3-bromo-5-fluorobenzoate|CS-0194411

Structure of 353743-43-8

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General Information

  • CAS No. 353743-43-8
  • Cat. No. CS-0194411
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrFO₂
  • Molecular Weight 247.06
  • Synonym(s) ethyl 3-bromo-5-fluoro-benzoate
  • SMILES CCOC(=O)C1=CC(=CC(=C1)F)Br

Synthesis

  • Route1

    References

    • Takeda Pharmaceutical Company Limited Patent: EP2253618 A1, 2010 ; Location in patent: Page/Page column 48 ;
  • Route2

    References

    • Fier, Patrick S.; Luo, Jingwei; Hartwig, John F. Journal of the American Chemical Society, 2013 , vol. 135, # 7 p. 2552 - 2559

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.7649
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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