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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)nicotinic acid

  • CAS No. 158063-66-2

  • Cat. No. CS-W019964
  • Purity≥97%
  • MDL No.MFCD00082626

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

4-(Trifluoromethyl)nicotinic acid|CS-W019964

Structure of 158063-66-2

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General Information

  • CAS No. 158063-66-2
  • Cat. No. CS-W019964
  • Purity ≥97%
  • MDL No. MFCD00082626
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₂
  • Molecular Weight 191.11
  • Synonym(s) 4-(Trifluoromethyl)pyridine-3-carboxylic acid
  • SMILES O=C(O)C1=CN=CC=C1C(F)(F)F

Synthesis

  • Route1

    References

    • Sankyo Agro Company, Limited Patent: EP1460071 A1, 2004 ; Location in patent: Page 40; 41 ;
  • Route2

    References

    • Sankyo Agro Company, Limited Patent: EP1460071 A1, 2004 ; Location in patent: Page 40 ;
  • Route3
    • null|null
      60838-50-8
    • (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one|CS-0442011
      120417-45-0
    • ~47%
    • In-stock
      4-(Trifluoromethyl)nicotinic acid|CS-W019964
      158063-66-2

    References

    • Sankyo Agro Company, Limited Patent: EP1460071 A1, 2004 ; Location in patent: Page 41 ;

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   50.19
  • LogP   1.7986
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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