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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethoxy)isonicotinic acid

  • CAS No. 1221171-76-1

  • Cat. No. CS-0157811
  • Molecule weight207.11
  • Purity≥95%
  • MDL No.None

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

3-(Trifluoromethoxy)isonicotinic acid|CS-0157811

Structure of 1221171-76-1

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General Information

  • CAS No. 1221171-76-1
  • Cat. No. CS-0157811
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₃
  • Molecular Weight 207.11
  • Synonym(s) None
  • SMILES C1=C(C(=CN=C1)OC(F)(F)F)C(=O)O

Synthesis

  • Route1
    • 2-Chloro-3-(trifluoromethoxy)isonicotinic acid|CS-1748394
      1221171-78-3
    • ~84%
    • 3-(Trifluoromethoxy)isonicotinic acid|CS-0157811
      1221171-76-1

    References

    • BAYER CROPSCIENCE AG; PAZENOK, Sergii; VORS, Jean-Pierre; LEROUX, Frederic, R.; MANTEAU, Baptiste; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE STRASBOURG Patent:   WO2010/40461 A1, 2010 ; Location in patent: Page/Page column 22 ;
  • Route2
    • 2-Chloro-5-(trifluoromethoxy)isonicotinic acid|CS-0080661
      1221171-77-2
    • ~82%
    • 3-(Trifluoromethoxy)isonicotinic acid|CS-0157811
      1221171-76-1

    References

    • BAYER CROPSCIENCE AG; PAZENOK, Sergii; VORS, Jean-Pierre; LEROUX, Frederic, R.; MANTEAU, Baptiste; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE STRASBOURG Patent:   WO2010/40461 A1, 2010 ; Location in patent: Page/Page column 32 ;

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-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   59.42
  • LogP   1.6784
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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