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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)isoxazole-4-carboxylic acid

  • CAS No. 1076245-98-1

  • Cat. No. CS-0368844
  • Purity95+%
  • MDL No.MFCD11100076

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

3-(Trifluoromethyl)isoxazole-4-carboxylic acid|CS-0368844

Structure of 1076245-98-1

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General Information

  • CAS No. 1076245-98-1
  • Cat. No. CS-0368844
  • Purity 95+%
  • MDL No. MFCD11100076
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂F₃NO₃
  • Molecular Weight 181.07
  • Synonym(s) 4-Carboxy-3-(trifluoromethyl)isoxazole
  • SMILES O=C(C1=CON=C1C(F)(F)F)O

Synthesis

  • Route1
    • null|null
      1076245-97-0
    • ~8%
    • 3-(Trifluoromethyl)isoxazole-4-carboxylic acid|CS-0368844
      1076245-98-1

    References

    • PFIZER LIMITED Patent: WO2008/135826 A2, 2008 ; Location in patent: Page/Page column 166; 167 ; WO 2008/135826 A2

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-H315-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   1.3916
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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