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CS-W001157 4
Total: USD 88.00

3-Phenyl-5(4H)-isoxazolone

  • CAS No. 1076-59-1

  • Cat. No. CS-0114110
  • Purity≥98%
  • MDL No.MFCD00003158

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

3-Phenyl-5(4H)-isoxazolone|CS-0114110

Structure of 1076-59-1

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General Information

  • CAS No. 1076-59-1
  • Cat. No. CS-0114110
  • Purity ≥98%
  • MDL No. MFCD00003158
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) 5(4H)-Isoxazolone, 3-phenyl-
  • SMILES O=C(C1)ON=C1C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Villemin; Martin; Garrigues Synthetic Communications, 1993 , vol. 23, # 16 p. 2251 - 2257
  • Route2
    • null|null
      193346-77-9
    • ~78%
    • In-stock
      3-Phenyl-5(4H)-isoxazolone|CS-0114110
      1076-59-1

    References

    • Chande, Madhukar S.; Amle, Anand P. Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 10 p. 2625 - 2627
  • Route3
    • Ethyl (Z)-3-amino-3-phenylacrylate|CS-1057690
      53256-19-2
    • ~59%
    • In-stock
      3-Phenyl-5(4H)-isoxazolone|CS-0114110
      1076-59-1

    References

    • Valduga, Claudete J.; Santis, Denise B.; Braibante, Hugo S.; Braibante, Mara E. F. Journal of Heterocyclic Chemistry, 1999 , vol. 36, # 2 p. 505 - 508

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

Quality Control

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Computational Chemistry Data

  • TPSA   38.66
  • LogP   1.3376
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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