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CS-W001157 4
Total: USD 88.00

5-(4-Bromophenyl)isoxazole

  • CAS No. 7064-31-5

  • Cat. No. CS-0206552
  • Purity≥98%
  • MDL No.MFCD02183532

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

5-(4-Bromophenyl)isoxazole|CS-0206552

Structure of 7064-31-5

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General Information

  • CAS No. 7064-31-5
  • Cat. No. CS-0206552
  • Purity ≥98%
  • MDL No. MFCD02183532
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrNO
  • Molecular Weight 224.05
  • Synonym(s) 5-(4-bromophenyl)-1,2-oxazole
  • SMILES C1=C(C=CC(=C1)Br)C2=CC=NO2

Description

2,5-Dichlorobenzonitrile is widely used in scientific research as a reagent for the synthesis of various compounds. It is also used as a catalyst in the synthesis of polymers, as a starting material for the synthesis of drugs, and as an intermediate in the synthesis of pharmaceuticals. In addition, it is used in the production of herbicides, fungicides, and insecticides.

Synthesis

  • Route1
    • 1-(4-Bromophenyl)-3-(dimethylamino)-2-propen-1-one|CS-0783090
      73387-60-7
    • ~78%
    • 5-(4-Bromophenyl)isoxazole|CS-0206552
      7064-31-5

    References

    • Rosa, Fernanda A.; Machado, Pablo; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P. Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 3 p. 879 - 885
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 23 p. 6058 - 6062
  • Route3
    • null|null
      14153-75-4
    • ~%
    • 5-(4-Bromophenyl)isoxazole|CS-0206552
      7064-31-5

    References

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

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2923
Class : 8,6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H318-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   26.03
  • LogP   3.1041
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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