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CS-W001157 4
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3-Phenylbenzo[c]isoxazole

  • CAS No. 5176-14-7

  • Cat. No. CS-0359925
  • Molecule weight195.22
  • Purity95+%
  • MDL No.None

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

3-Phenylbenzo[c]isoxazole|CS-0359925

Structure of 5176-14-7

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General Information

  • CAS No. 5176-14-7
  • Cat. No. CS-0359925
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO
  • Molecular Weight 195.22
  • Synonym(s) 3-Phenyl-2,1-benzoxazole
  • SMILES C1(C2=CC=CC=C2)=C3C=CC=CC3=NO1

Synthesis

  • Route1

    References

    • Chauhan, Jay; Fletcher, Steven Tetrahedron Letters, 2012 , vol. 53, # 37 p. 4951 - 4954
  • Route2
    • 2-Aminobenzophenone Nepafenac Impurity|CS-0229200
      2835-77-0
    • ~94%
    • 3-Phenylbenzo[c]isoxazole|CS-0359925
      5176-14-7

    References

    • Dyall, Leonard K. Australian Journal of Chemistry, 1984 , vol. 37, # 10 p. 2013 - 2026
  • Route3
    • null|null
      16714-27-5
    • ~95%
    • 3-Phenylbenzo[c]isoxazole|CS-0359925
      5176-14-7

    References

    • Stokes, Benjamin J.; Vogel, Carl V.; Urnezis, Linda K.; Pan, Minjie; Driver, Tom G. Organic Letters, 2010 , vol. 12, # 12 p. 2884 - 2887

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

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   3.4948
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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