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CS-W001157 4
Total: USD 88.00

5-(4-Fluorophenyl)isoxazole

  • CAS No. 138716-37-7

  • Cat. No. CS-0206141
  • Purity≥98%
  • MDL No.MFCD02183544

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

5-(4-Fluorophenyl)isoxazole|CS-0206141

Structure of 138716-37-7

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General Information

  • CAS No. 138716-37-7
  • Cat. No. CS-0206141
  • Purity ≥98%
  • MDL No. MFCD02183544
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆FNO
  • Molecular Weight 163.15
  • Synonym(s) Isoxazole, 5-(4-fluorophenyl)- (9CI)
  • SMILES C1=C(C=CC(=C1)F)C2=CC=NO2

Synthesis

  • Route1
    • (E)-3-(Dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one|CS-0166884
      138716-20-8
    • ~99%
    • 5-(4-Fluorophenyl)isoxazole|CS-0206141
      138716-37-7

    References

    • Hoepping, Alexander; Diekers, Michael; Deuther-Conrad, Winnie; Scheunemann, Matthias; Fischer, Steffen; Hiller, Achim; Wegner, Florian; Steinbach, Joerg; Brust, Peter Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 3 p. 1184 - 1194
  • Route2
    • null|null
      115168-89-3
    • ~%
    • 5-(4-Fluorophenyl)isoxazole|CS-0206141
      138716-37-7

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 23 p. 6058 - 6062
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 45, # 3 p. 879 - 885

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.4807
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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