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CS-W001157 4
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2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone

  • CAS No. 258506-49-9

  • Cat. No. CS-0211787
  • Purity≥97%
  • MDL No.MFCD00662759

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

2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone|CS-0211787

Structure of 258506-49-9

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General Information

  • CAS No. 258506-49-9
  • Cat. No. CS-0211787
  • Purity ≥97%
  • MDL No. MFCD00662759
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇BrClNO₂
  • Molecular Weight 300.54
  • Synonym(s) 5-(Bromoacetyl)-3-(4-chlorophenyl)isoxazole
  • SMILES C1=C(C=CC(=C1)Cl)C2=NOC(=C2)C(=O)CBr

Synthesis

  • Route1
    • 1-(3-(4-Chlorophenyl)isoxazol-5-yl)ethan-1-one|CS-0327540
      37091-33-1
    • ~%
    • 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone|CS-0211787
      258506-49-9

    References

    • Bioorganic and Medicinal Chemistry, , vol. 7, # 11 p. 2607 - 2613
  • Route2
    • null|null
      258506-52-4
    • ~%
    • 2-Bromo-1-[3-(4-chlorophenyl)-5-isoxazolyl]-1-ethanone|CS-0211787
      258506-49-9

    References

    • Bioorganic and Medicinal Chemistry, , vol. 7, # 11 p. 2607 - 2613

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   3.5726
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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