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CS-W001157 4
Total: USD 88.00

2-Chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid

  • CAS No. 505084-58-2

  • Cat. No. CS-W005796
  • Purity≥98%
  • MDL No.MFCD01862019

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

2-Chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid|CS-W005796

Structure of 505084-58-2

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General Information

  • CAS No. 505084-58-2
  • Cat. No. CS-W005796
  • Purity ≥98%
  • MDL No. MFCD01862019
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClF₃NO₂
  • Molecular Weight 225.55
  • Synonym(s) 4-Pyridinecarboxylicacid, 2-chloro-5-(trifluoromethyl)-
  • SMILES ClC1=NC=C(C(=C1)C(=O)O)C(F)(F)F

Description

This pyridinecarboxylic acid features a chlorine substituent at the 2-position and a trifluoromethyl group at the 5-position, creating a highly electron-deficient heterocyclic core. The carboxylic acid functionality enables direct coupling reactions in synthetic sequences. This combination delivers enhanced stability and reactivity for applications in medicinal chemistry and agrochemical synthesis.

Application

2-Chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation of a trifluoromethyl group and a halogenated pyridine core into complex scaffolds. Its carboxylic acid functionality facilitates amide coupling and esterification reactions under standard conditions, while the chlorine and trifluoromethyl groups offer orthogonal reactivity for cross-coupling and functionalization. The compound exhibits good bench stability and is compatible with common purification methods, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      2-Chloro-5-(trifluoromethyl)-4-iodopyridine|CS-W013962
      505084-55-9
    • ~86%
    • In-stock
      2-Chloro-5-(trifluoromethyl)pyridine-4-carboxylic acid|CS-W005796
      505084-58-2

    References

    • Cottet, Fabrice; Marull, Marc; Lefebvre, Olivier; Schlosser, Manfred European Journal of Organic Chemistry, 2003 , # 8 p. 1559 - 1568
  • Route2

    References

    • Cottet, Fabrice; Marull, Marc; Lefebvre, Olivier; Schlosser, Manfred European Journal of Organic Chemistry, 2003 , # 8 p. 1559 - 1568

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.452
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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