Description

Ethyl 3-chloro-2-fluorobenzoate (CAS No. 773135-55-0) is a high-purity fluorinated and chlorinated benzoate ester with the molecular formula C₉H₈ClFO₂. This specialized organic compound is meticulously synthesized for use in advanced research and industrial applications, offering exceptional reactivity due to its dual halogen substitution. With a molecular weight of 202.61 g/mol, it is a clear to pale-yellow liquid under standard conditions, characterized by its stability and compatibility with a wide range of chemical transformations. Ideal for pharmaceutical intermediates, agrochemical synthesis, and material science, this compound is rigorously tested to ensure >98% purity (GC) and is available in various packaging options to meet laboratory and bulk-scale demands. Store in a cool, dry place under inert atmosphere to maintain optimal quality.

Properties

• CAS Number: 773135-55-0
• Complexity: 186
• IUPAC Name: ethyl 3-chloro-2-fluoro-benzoate
• InChI: InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3
• InChI Key: MCNAALBXEILIIB-UHFFFAOYSA-N
• Exact Mass: 202.0196853
• Molecular Formula: C9H8ClFO2
• Molecular Weight: 202.61
• SMILES: CCOC(=O)C1=C(C(=CC=C1)Cl)F
• Topological: 26.3
• Monoisotopic Mass: 202.0196853
• Synonyms: Benzoic acid, 3-chloro-2-fluoro-, ethyl ester, Ethyl 3-chloro-2-fluorobenzoate, 773135-55-0, Ethyl 2-fluoro-3-chloro benzoate, MFCD06204525, Ethyl3-chloro-2-fluorobenzoate, SCHEMBL22206861, DTXSID50647505, AKOS016007752, DS-4428, SY103393, 3-Chloro-2-fluorobenzoic acid, ethyl ester, DB-342961

Application

Ethyl 3-chloro-2-fluorobenzoate serves as a versatile building block in organic synthesis, particularly in the development of fluorinated pharmaceuticals and agrochemicals. Its unique halogenated structure enables selective coupling reactions, such as Suzuki-Miyaura cross-coupling, for constructing complex aromatic frameworks. Researchers also utilize it as a precursor for synthesizing liquid crystal materials and specialty polymers. In medicinal chemistry, it is employed to introduce fluorine and chlorine motifs into drug candidates to modulate bioavailability and metabolic stability.

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