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5-(3-Fluorophenyl)furan-2-carboxylic acid

  • CAS No. 54022-97-8

  • Cat. No. CS-0253944
  • Molecule weight206.17
  • Purity95+%
  • MDL No.None

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

5-(3-Fluorophenyl)furan-2-carboxylic acid|CS-0253944

Structure of 54022-97-8

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General Information

  • CAS No. 54022-97-8
  • Cat. No. CS-0253944
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇FO₃
  • Molecular Weight 206.17
  • Synonym(s) 5-(3-FLUORO-PHENYL)-FURAN-2-CARBOXYLIC ACID
  • SMILES O=C(C1=CC=C(C2=CC=CC(F)=C2)O1)O

Synthesis

  • Route1

    References

    • IRM LLC Patent: WO2005/39496 A2, 2005 ; Location in patent: Page/Page column 59 ; WO 2005/039496 A2
  • Route2
    • Methyl 5-(3-fluorophenyl)furan-2-carboxylate|CS-1154714
      54023-07-3
    • ~96%
    • 5-(3-Fluorophenyl)furan-2-carboxylic acid|CS-0253944
      54022-97-8

    References

    • Ballard, T. Eric; Wang, Xia; Olekhnovich, Igor; Koerner, Taylor; Seymour, Craig; Salamoun, Joseph; Warthan, Michelle; Hoffman, Paul S.; Macdonald, Timothy L. ChemMedChem, 2011 , vol. 6, # 2 p. 362 - 377
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 12 p. 3258 - 3261

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

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   2.7839
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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