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CS-W001157 4
Total: USD 88.00

Ethyl 2,3,6-trifluorobenzoate

  • CAS No. 773134-90-0

  • Cat. No. CS-0191701
  • Purity≥97%
  • MDL No.None

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

Ethyl 2,3,6-trifluorobenzoate|CS-0191701

Structure of 773134-90-0

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General Information

  • CAS No. 773134-90-0
  • Cat. No. CS-0191701
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₂
  • Molecular Weight 204.15
  • Synonym(s) 2,3,6-Trifluoro-benzoic acid ethyl ester
  • SMILES CCOC(=O)C1=C(C=CC(=C1F)F)F

Description

Ethyl 2,3,6-trifluorobenzoate features a trifluorinated aromatic core that imparts enhanced electron-withdrawing character and metabolic stability. This structural motif enables efficient incorporation into complex synthetic intermediates, particularly in pharmaceutical and agrochemical scaffold development. The ester functionality offers straightforward derivatization potential under standard conditions.

Application

Ethyl 2,3,6-trifluorobenzoate serves as a versatile trifluorinated aromatic building block for medicinal chemistry and materials synthesis. Its electron-deficient benzene ring facilitates nucleophilic aromatic substitution, while the ester group enables further functionalization via hydrolysis or coupling reactions. The ortho-fluorine atoms provide enhanced metabolic stability and improved binding affinity in bioactive scaffolds. Bench-stable and compatible with standard reaction conditions, it functions reliably in cross-coupling, acylation, and heterocycle formation 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 : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352-P304+P340

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2806
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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