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CS-W001157 4
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3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid

  • CAS No. 1736-21-6

  • Cat. No. CS-0085320
  • Molecule weight221.18
  • Purity≥98%
  • MDL No.MFCD03407356

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

3-(4-Fluorophenyl)-5-methylisoxazole-4-carboxylic acid|CS-0085320

Structure of 1736-21-6

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General Information

  • CAS No. 1736-21-6
  • Cat. No. CS-0085320
  • Purity ≥98%
  • MDL No. MFCD03407356
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈FNO₃
  • Molecular Weight 221.18
  • Synonym(s) 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
  • SMILES O=C(C1=C(C)ON=C1C2=CC=C(F)C=C2)O

Synthesis

  • Route1

    References

    • Hoffmann-La Roche Inc.; Dott, Pascal; Grassmann, Olaf; Kammerer, Michael; Manns, Joachim; Schwitter, Urs; Thomas, Andrew; Wyttenbach, Nicole Patent: US2013/172329 A1, 2013 ; Location in patent: Paragraph 0258 ;
  • Route2

    References

    • Journal of Agricultural and Food Chemistry, , vol. 43, # 1 p. 219 - 228
  • Route3

    References

    • Journal of Agricultural and Food Chemistry, , vol. 43, # 1 p. 219 - 228

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.48732
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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