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Total: USD 88.00

5-Methyl-3-phenyl-4-isoxazolecarbaldehyde

  • CAS No. 87967-95-1

  • Cat. No. CS-0206616
  • Purity98+%
  • MDL No.MFCD02677714

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

5-Methyl-3-phenyl-4-isoxazolecarbaldehyde|CS-0206616

Structure of 87967-95-1

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General Information

  • CAS No. 87967-95-1
  • Cat. No. CS-0206616
  • Purity 98+%
  • MDL No. MFCD02677714
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight 187.19
  • Synonym(s) 5-Methyl-3-phenylisoxazole-4-carboxaldehyde
  • SMILES CC1=C(C=O)C(=NO1)C2=CC=CC=C2

Synthesis

  • Route1
    • (5-Methyl-3-phenyl-4-isoxazolyl)methanol|CS-0206780
      18718-79-1
    • ~91%
    • 5-Methyl-3-phenyl-4-isoxazolecarbaldehyde|CS-0206616
      87967-95-1

    References

    • Kalin, Jay H.; Zhang, Hankun; Gaudrel-Grosay, Sophie; Vistoli, Giulio; Kozikowski, Alan P. ChemMedChem, 2012 , vol. 7, # 3 p. 425 - 439
  • Route2

    References

    • Synthetic Communications, , vol. 13, # 10 p. 817 - 822
  • Route3

    References

    • Synthesis, , # 9 p. 1347 - 1356

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   2.46252
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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