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CS-W001157 4
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Ethyl 6-(trifluoromethyl)nicotinate

  • CAS No. 597532-36-0

  • Cat. No. CS-0042056
  • Molecule weight219.16
  • Purity≥98%
  • MDL No.MFCD04972865

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

Ethyl 6-(trifluoromethyl)nicotinate|CS-0042056

Structure of 597532-36-0

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General Information

  • CAS No. 597532-36-0
  • Cat. No. CS-0042056
  • Purity ≥98%
  • MDL No. MFCD04972865
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₃NO₂
  • Molecular Weight 219.16
  • Synonym(s) ethyl 6-(trifluoromethyl)pyridine-3-carboxylate
  • SMILES O=C(OCC)C1=CN=C(C(F)(F)F)C=C1

Description

Ethyl 6-(trifluoromethyl)nicotinate features a trifluoromethyl group at the 6-position of the nicotinate ring, enhancing electron-withdrawing character and metabolic stability. This bench-stable ester integrates readily into synthetic routes for bioactive heterocycles, serving as a key intermediate in pharmaceutical and agrochemical development.

Application

Ethyl 6-(trifluoromethyl)nicotinate serves as a versatile building block in medicinal chemistry, enabling efficient access to trifluoromethylated heterocyclic scaffolds. Its electron-deficient pyridine core facilitates nucleophilic aromatic substitution and transition-metal-catalyzed coupling reactions. The ester group offers convenient derivatization options, while the trifluoromethyl moiety enhances metabolic stability and lipophilicity—key attributes in drug discovery. Bench-stable and readily purified by distillation or chromatography, it functions reliably in standard synthetic workflows.

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 : H315-H319
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   2.2771
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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