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CS-W001157 4
Total: USD 88.00

3-(3-Fluoro-phenyl)-isoxazole-5-carbaldehyde

  • CAS No. 885273-52-9

  • Cat. No. CS-0005474
  • Molecule weight191.16
  • Purity≥98%
  • MDL No.MFCD06738504

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

3-(3-Fluoro-phenyl)-isoxazole-5-carbaldehyde|CS-0005474

Structure of 885273-52-9

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General Information

  • CAS No. 885273-52-9
  • Cat. No. CS-0005474
  • Purity ≥98%
  • MDL No. MFCD06738504
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆FNO₂
  • Molecular Weight 191.16
  • Synonym(s) 3-(3-Fluorophenyl)isoxazole-5-carbaldehyde
  • SMILES O=CC1=CC(C2=CC=CC(F)=C2)=NO1

Synthesis

  • Route1
    • (3-(3-Fluorophenyl)isoxazol-5-yl)methanol|CS-0578186
      954240-02-9
    • ~%
    • 3-(3-Fluoro-phenyl)-isoxazole-5-carbaldehyde|CS-0005474
      885273-52-9

    References

    • Oh, Yoo Na; Kwak, Jumyung; Koh, Hun Yeong; Jung, Sun Ho Bulletin of the Korean Chemical Society, 2012 , vol. 33, # 12 p. 4227 - 4230
  • Route2
    • 3-Fluorobenzaldehyde oxime|CS-1639295
      458-02-6
    • ~%
    • 3-(3-Fluoro-phenyl)-isoxazole-5-carbaldehyde|CS-0005474
      885273-52-9

    References

    • Oh, Yoo Na; Kwak, Jumyung; Koh, Hun Yeong; Jung, Sun Ho Bulletin of the Korean Chemical Society, 2012 , vol. 33, # 12 p. 4227 - 4230
  • Route3

    References

    • Oh, Yoo Na; Kwak, Jumyung; Koh, Hun Yeong; Jung, Sun Ho Bulletin of the Korean Chemical Society, 2012 , vol. 33, # 12 p. 4227 - 4230

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

Quality Control

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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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