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CS-W001157 4
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3-(2-Fluoro-phenyl)-isoxazole-5-carbaldehyde

  • CAS No. 808740-52-5

  • Cat. No. CS-0005472
  • Purity≥98%
  • MDL No.MFCD06738517

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

3-(2-Fluoro-phenyl)-isoxazole-5-carbaldehyde|CS-0005472

Structure of 808740-52-5

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General Information

  • CAS No. 808740-52-5
  • Cat. No. CS-0005472
  • Purity ≥98%
  • MDL No. MFCD06738517
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆FNO₂
  • Molecular Weight 191.16
  • Synonym(s) 3-(2-Fluorphenyl)-1,2-oxazol-5-carbaldehyd
  • SMILES O=CC1=CC(C2=CC=CC=C2F)=NO1

Synthesis

  • Route1

    References

    • NEUROMED PHARMACEUTICALS LTD. Patent: WO2007/118323 A1, 2007 ; Location in patent: Page/Page column 26-27 ; WO 2007/118323 A1
  • Route2
    • (E)-N-[(2-fluorophenyl)methylidene]hydroxylamine|CS-W020474
      24652-66-2
    • ~%
    • 3-(2-Fluoro-phenyl)-isoxazole-5-carbaldehyde|CS-0005472
      808740-52-5

    References

    • Bioorganic and Medicinal Chemistry, , vol. 12, # 15 p. 3965 - 3970
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 12, # 15 p. 3965 - 3970

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   2.2932
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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