Description

Ethyl 2,5-Difluorobenzoate (CAS No. 708-25-8) is a high-purity fluorinated benzoate ester with the molecular formula C₉H₈F₂O₂. This specialized organic compound is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique fluorinated aromatic structure. The presence of fluorine atoms at the 2- and 5-positions of the benzene ring enhances its reactivity and metabolic stability, making it a valuable intermediate in synthetic chemistry. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a building block for advanced materials.

Key Features:

• High-purity fluorinated aromatic ester
• Excellent substrate for palladium-catalyzed coupling reactions
• Stable under inert atmosphere
• Compatible with Grignard and organolithium reagents
• Available in quantities from 1g to 1kg with custom packaging options

Properties

• CAS Number: 708-25-8
• Complexity: 184
• IUPAC Name: ethyl 2,5-difluorobenzoate
• InChI: InChI=1S/C9H8F2O2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
• InChI Key: VTNZLYJCCASTNV-UHFFFAOYSA-N
• Exact Mass: 186.04923582
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.15
• SMILES: CCOC(=O)C1=C(C=CC(=C1)F)F
• Topological: 26.3
• Monoisotopic Mass: 186.04923582
• Synonyms: 708-25-8, Benzoic acid, 2,5-difluoro-, ethyl ester, Ethyl 2,5-difluorobenzoate, 2,5-Difluoro-benzoic acid ethyl ester, MFCD06204339, Ethyl 2-fluoro-5-fluorobenzoate, Ethyl2,5-difluorobenzoate, SCHEMBL1997075, DTXSID80615575, AC6662, AKOS009166555, 2,5-Difluorobenzoic acid, ethyl ester, DS-10432, SY039194, DB-334072

Application

Ethyl 2,5-difluorobenzoate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly COX-2 inhibitors and antifungal agents. The compound’s difluorinated aromatic ring system is valuable for creating liquid crystal materials with enhanced thermal stability. Researchers utilize this ester in Suzuki-Miyaura cross-coupling reactions to construct complex biaryl systems for drug discovery programs.

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