Description

Ethyl 2,4-dichloro-5-fluorobenzoate (CAS No. 103318-75-8) is a high-purity fluorinated benzoate ester with the molecular formula C₉H₇Cl₂FO₂. This specialized organic compound is widely utilized in pharmaceutical and agrochemical research due to its unique halogen-substituted aromatic structure. The product is synthesized under stringent quality control measures to ensure >98% purity (HPLC) and is available in quantities ranging from milligrams to kilograms. It is supplied as a clear to pale-yellow liquid or low-melting solid with excellent solubility in common organic solvents like DCM, DMSO, and ethanol. Proper storage under inert atmosphere at 2-8°C is recommended for long-term stability. This compound is particularly valuable as a building block in the synthesis of active pharmaceutical ingredients (APIs) and advanced materials.

Properties

• CAS Number: 103318-75-8
• Complexity: 213
• IUPAC Name: ethyl 2,4-dichloro-5-fluoro-benzoate
• InChI: InChI=1S/C9H7Cl2FO2/c1-2-14-9(13)5-3-8(12)7(11)4-6(5)10/h3-4H,2H2,1H3
• InChI Key: FHPCKNJINJXSIC-UHFFFAOYSA-N
• Exact Mass: 235.9807130
• Molecular Formula: C9H7Cl2FO2
• Molecular Weight: 237.05
• SMILES: CCOC(=O)C1=CC(=C(C=C1Cl)Cl)F
• Topological: 26.3
• Monoisotopic Mass: 235.9807130
• Synonyms: 103318-75-8, Benzoic acid, 2,4-dichloro-5-fluoro-, ethyl ester, ethyl 2,4-dichloro-5-fluorobenzoate, 2,4-Dichloro-5-fluorobenzoic acid ethyl ester, SCHEMBL8335693, DTXSID50545451, MFCD06205036, ethyl 2,4-dichloro-5-fluoro-benzoate, CS-0364943

Application

Ethyl 2,4-dichloro-5-fluorobenzoate serves as a key intermediate in the synthesis of fluorinated pharmaceutical compounds, particularly in the development of antibacterial and antifungal agents. Its reactive ester group enables efficient coupling reactions in peptide synthesis and other nucleophilic substitution processes. The compound’s unique halogen pattern makes it valuable for structure-activity relationship studies in medicinal chemistry. Researchers also utilize this chemical as a precursor for advanced materials with specialized electronic properties.

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