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Methyl 6-chloro-4-(trifluoromethyl)nicotinate

  • CAS No. 261635-79-4

  • Cat. No. CS-0046073
  • Purity≥98%
  • MDL No.MFCD01941315

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

Methyl 6-chloro-4-(trifluoromethyl)nicotinate|CS-0046073

Structure of 261635-79-4

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General Information

  • CAS No. 261635-79-4
  • Cat. No. CS-0046073
  • Purity ≥98%
  • MDL No. MFCD01941315
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClF₃NO₂
  • Molecular Weight 239.58
  • Synonym(s) methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate
  • SMILES O=C(C1=C(C(F)(F)F)C=C(Cl)N=C1)OC

Description

Methyl 6-chloro-4-(trifluoromethyl)nicotinate features a trifluoromethyl group at the 4-position and a chlorine atom at the 6-position, conferring strong electron-withdrawing character. This sterically hindered, bench-stable ester integrates readily into heterocyclic synthesis workflows, enabling efficient access to fluorinated pyridine derivatives under standard conditions.

Application

Methyl 6-chloro-4-(trifluoromethyl)nicotinate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to functionalized heterocycles via cross-coupling and nucleophilic substitution reactions. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the methyl ester provides a handle for selective transformations. Bench-stable and compatible with standard reaction conditions, it facilitates rapid diversification in scaffold development.

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

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.5404
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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