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CS-W001157 4
Total: USD 88.00

3-(4-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid

  • CAS No. 91182-87-5

  • Cat. No. CS-0085343
  • Molecule weight237.64
  • Purity95+%
  • MDL No.MFCD02082272

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

3-(4-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid|CS-0085343

Structure of 91182-87-5

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General Information

  • CAS No. 91182-87-5
  • Cat. No. CS-0085343
  • Purity 95+%
  • MDL No. MFCD02082272
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈ClNO₃
  • Molecular Weight 237.64
  • Synonym(s) None
  • SMILES O=C(C1=C(C)ON=C1C2=CC=C(Cl)C=C2)O

Synthesis

  • Route1
    • Methyl 3-(4-Chlorophenyl)-5-methylisoxazole-4-carboxylate|CS-0768104
      68870-58-6
    • ~76%
    • 3-(4-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid|CS-0085343
      91182-87-5

    References

    • Akiba, Kin-ya; Kashiwagi, Kohichi; Ohyama, Yoshihiko; Yamamoto, Yoshuke; Ohkata, Katsuo Journal of the American Chemical Society, 1985 , vol. 107, # 9 p. 2721 - 2730
  • Route2
    • Ethyl 3-(4-chlorophenyl)-5-methylisoxazole-4-carboxylate|CS-0587165
      97026-71-6
    • ~99%
    • 3-(4-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid|CS-0085343
      91182-87-5

    References

    • Xin, Zhili; Zhao, Hongyu; Serby, Michael D.; Liu, Bo; Schaefer, Verlyn G.; Falls, Douglas H.; Kaszubska, Wiweka; Colins, Christine A.; Sham, Hing L.; Liu, Gang Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 4 p. 1201 - 1204
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 107, # 9 p. 2721 - 2730

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   3.00162
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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