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CS-W001157 4
Total: USD 88.00

6-(Trifluoromethoxy)nicotinic acid

  • CAS No. 940895-85-2

  • Cat. No. CS-0080629
  • Molecule weight207.11
  • Purity95+%
  • MDL No.MFCD17677182

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

6-(Trifluoromethoxy)nicotinic acid|CS-0080629

Structure of 940895-85-2

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General Information

  • CAS No. 940895-85-2
  • Cat. No. CS-0080629
  • Purity 95+%
  • MDL No. MFCD17677182
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₃
  • Molecular Weight 207.11
  • Synonym(s) None
  • SMILES FC(F)(F)OC1=CC=C(C(O)=O)C=N1

Synthesis

  • Route1
    • 3-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethoxy)-|CS-0022744
      1221172-04-8
    • ~83%
    • 6-(Trifluoromethoxy)nicotinic acid|CS-0080629
      940895-85-2

    References

    • Manteau, Baptiste; Genix, Pierre; Brelot, Lydia; Vors, Jean-Pierre; Pazenok, Sergiy; Giornal, Florence; Leuenberger, Charlotte; Leroux, Frederic R. European Journal of Organic Chemistry, 2010 , # 31 p. 6043 - 6066
  • Route2

    References

    • VIVALIS; CIAPETTI, Paola; TROUCHE, Nathalie; VENKATA PITHANI, Subhash; GUEDAT, Philippe; BERECIBAR, Amaya Patent: WO2012/93174 A1, 2012 ; WO 2012/093174 A1
  • Route3
    • null|null
      1384878-23-2
    • ~%
    • 6-(Trifluoromethoxy)nicotinic acid|CS-0080629
      940895-85-2

    References

    • VIVALIS; CIAPETTI, Paola; TROUCHE, Nathalie; VENKATA PITHANI, Subhash; GUEDAT, Philippe; BERECIBAR, Amaya Patent: WO2012/93174 A1, 2012 ; WO 2012/093174 A1

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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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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