Description
Ethyl 2-(Trifluoromethyl)benzoate (CAS No. 577-62-8) is a high-purity fluorinated benzoate ester with the molecular formula C10H9F3O2. This specialized organic compound is widely utilized in pharmaceutical, agrochemical, and material science research due to its trifluoromethyl group, which enhances reactivity and stability. Its clear to pale-yellow liquid form and distinct aromatic properties make it ideal for precise synthetic applications. Packaged under inert conditions to ensure longevity, this product is rigorously tested via GC, NMR, and HPLC to meet >98% purity standards. Suitable for use as an intermediate in cross-coupling reactions, esterifications, and as a building block for advanced fluorinated compounds.
Properties
- CAS Number: 577-62-8
- Complexity: 225
- IUPAC Name: ethyl 2-(trifluoromethyl)benzoate
- InChI: InChI=1S/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
- InChI Key: BQLMZZVRHPZRBQ-UHFFFAOYSA-N
- Exact Mass: 218.05546401
- Molecular Formula: C10H9F3O2
- Molecular Weight: 218.17
- SMILES: CCOC(=O)C1=CC=CC=C1C(F)(F)F
- Topological: 26.3
- Monoisotopic Mass: 218.05546401
- Synonyms: 577-62-8, Benzoic acid, 2-(trifluoromethyl)-, ethyl ester, Ethyl 2-(trifluoromethyl)benzoate, 2-Trifluoromethylbenzoic acid, ethyl ester, ethyl 2-trifluoromethylbenzoate, Ethyl2-(trifluoromethyl)benzoate, MFCD00013556, SCHEMBL1994129, DTXSID201033248, Ethyl 2-(trifluoromethyl)benzoate #, SBB095538, AKOS008948230, FE80989, CS-16169, DB-047965, DB-053097, CS-0092633, ST50406996, Benzoic acid,2-(trifluoromethyl)-,ethyl ester, D75339, 2-Trifluoromethylbenzoic acid ethyl ester;Ethyl o-(trifluoromethyl)benzoate;2-(Trifluoromethyl)-Benzoic Acid Ethyl Ester
Application
Ethyl 2-(trifluoromethyl)benzoate serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of trifluoromethyl-substituted active ingredients. Its electron-withdrawing properties make it valuable in agrochemical research for designing herbicides and pesticides. Additionally, it is employed in material science for creating fluorinated polymers with enhanced thermal and chemical resistance.
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