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5-(3-Chlorophenyl)isoxazole-3-carbaldehyde

  • CAS No. 934282-58-3

  • Cat. No. CS-0462294
  • Purity≥98%
  • MDL No.MFCD16294197

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

5-(3-Chlorophenyl)isoxazole-3-carbaldehyde|CS-0462294

Structure of 934282-58-3

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General Information

  • CAS No. 934282-58-3
  • Cat. No. CS-0462294
  • Purity ≥98%
  • MDL No. MFCD16294197
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆ClNO₂
  • Molecular Weight 207.61
  • Synonym(s) 5-(3-Chlorophenyl)-3-isoxazolecarboxaldehyde
  • SMILES C1=CC(=CC(=C1)Cl)C2=CC(=NO2)C=O

Synthesis

  • Route1
    • (5-(3-Chlorophenyl)isoxazol-3-yl)methanol|CS-1683160
      657424-79-8
    • ~%
    • 5-(3-Chlorophenyl)isoxazole-3-carbaldehyde|CS-0462294
      934282-58-3

    References

    • ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2007/40982 A1, 2007 ; Location in patent: Page/Page column 13; 19 ; WO 2007/040982 A1

Safety Information

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   2.8075
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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