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2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile

  • CAS No. 763114-25-6

  • Cat. No. CS-M0105
  • Purity≥97%
  • MDL No.None

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

2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile|CS-M0105

Structure of 763114-25-6

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General Information

  • CAS No. 763114-25-6
  • Cat. No. CS-M0105
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₈FNO₂
  • Molecular Weight 265.24
  • Synonym(s) 2-fluoro-5-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
  • SMILES N#CC1=CC(/C=C(C2=CC=CC=C23)\OC3=O)=CC=C1F

Synthesis

  • Route1

    References

    • WO2012/71684 A1, ; Page/Page column 23 ; WO 2012/071684 A1
  • Route2
    • null|null
      17858-15-0
    • In-stock
      2-Fluoro-5-formylbenzonitrile|CS-B0043
      218301-22-5
    • ~%
    • In-stock
      2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile|CS-M0105
      763114-25-6

    References

    • WO2008/47082 A2, ; Page/Page column 27 ; WO 2008/047082 A2
  • Route3
    • Phthalaldehydic acid Butylphthalide  Impurity|CS-0228924
      119-67-5
    • ~%
    • In-stock
      2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile|CS-M0105
      763114-25-6

    References

    • WO2012/71684 A1, ; WO 2012/071684 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   3.36588
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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