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CS-W001157 4
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(3-Bromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone Benzbromarone Impurity

  • CAS No. 94729-09-6

  • Cat. No. CS-0379744
  • Molecule weight345.19
  • Purity≥98%
  • MDL No.None

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

(3-Bromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone Benzbromarone Impurity|CS-0379744

Structure of 94729-09-6

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General Information

  • CAS No. 94729-09-6
  • Cat. No. CS-0379744
  • Purity ≥98%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₃BrO₃
  • Molecular Weight 345.19
  • Synonym(s) (3-Bromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone
  • SMILES O=C(C1=C(CC)OC2=C1C=CC=C2)C3=CC=C(C(Br)=C3)O

Synthesis

  • Route1
    • null|null
      1352799-79-1
    • ~58%
    • (3-Bromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone Benzbromarone Impurity|CS-0379744
      94729-09-6

    References

    • Wempe; Quade; Jutabha; Iwen; Frick; Rice; Wakui; Endou Nucleosides, Nucleotides and Nucleic Acids, 2011 , vol. 30, # 12 p. 1312 - 1323
  • Route2

    References

    • J-PHARMA CO., LTD.; WEMPE, Michael, F.; ENDOU, Hitoshi Patent: WO2012/48058 A2, 2012 ; WO 2012/048058 A2
  • Route3

    References

    • J-PHARMA CO., LTD.; WEMPE, Michael, F.; ENDOU, Hitoshi Patent: WO2012/48058 A2, 2012 ; WO 2012/048058 A2

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

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   4.6943
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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