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CS-W001157 4
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Ethyl 2-(trifluoromethyl)benzoate

  • CAS No. 577-62-8

  • Cat. No. CS-0092633
  • Purity≥98%
  • MDL No.MFCD00013556

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

Ethyl 2-(trifluoromethyl)benzoate|CS-0092633

Structure of 577-62-8

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General Information

  • CAS No. 577-62-8
  • Cat. No. CS-0092633
  • Purity ≥98%
  • MDL No. MFCD00013556
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₂
  • Molecular Weight 218.17
  • Synonym(s) 2-Trifluormethyl-benzoesaeure-aethylester
  • SMILES O=C(OCC)C1=CC=CC=C1C(F)(F)F

Description

Ethyl 2-(trifluoromethyl)benzoate features a trifluoromethyl group that imparts enhanced electron-withdrawal and metabolic stability. This aromatic ester integrates readily into synthetic sequences requiring robust, fluorinated building blocks. The ester functionality enables straightforward derivatization under standard conditions.

Application

Ethyl 2-(trifluoromethyl)benzoate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to biologically relevant heterocycles and functionalized aromatic scaffolds. Its trifluoromethyl group enhances metabolic stability and modulates lipophilicity, while the ester functionality facilitates downstream transformations such as hydrolysis, reduction, or coupling reactions. Bench-stable and readily purified by standard chromatographic methods, it functions reliably in cross-coupling, nucleophilic substitution, and transition-metal-catalyzed processes.

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   26.3
  • LogP   2.8821
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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