Description

Ethyl 3-chloro-4-fluorobenzoate (CAS No. 137521-81-4) is a high-purity organic ester with the molecular formula C₉H₈ClFO₂. This compound is a versatile fluorinated and chlorinated benzoate derivative, widely used as a key intermediate in pharmaceutical synthesis, agrochemical production, and advanced material research. It features a molecular weight of 202.61 g/mol and exhibits excellent stability under standard laboratory conditions. The product is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), ensuring optimal performance in demanding applications. Proper storage in a cool, dry place under inert atmosphere is recommended to maintain its integrity.

Properties

• CAS Number: 137521-81-4
• Complexity: 186
• IUPAC Name: ethyl 3-chloro-4-fluoro-benzoate
• InChI: InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
• InChI Key: NYURFOITSAPYLU-UHFFFAOYSA-N
• Exact Mass: 202.0196853
• Molecular Formula: C9H8ClFO2
• Molecular Weight: 202.61
• SMILES: CCOC(=O)C1=CC(=C(C=C1)F)Cl
• Topological: 26.3
• Monoisotopic Mass: 202.0196853
• Synonyms: Benzoic acid, 3-chloro-4-fluoro-, ethyl ester, Ethyl 3-chloro-4-fluorobenzoate, 137521-81-4, 3-Chloro-4-fluoro-benzoic acid ethyl ester, MFCD06204341, 3-CHLORO-4-FLUOROBENZOIC ACID ETHYL ESTER, Ethyl3-chloro-4-fluorobenzoate, SCHEMBL1146528, DTXSID50589911, SBB093004, AKOS000299992, PS-8179, SY043369, CS-0097297

Application

Ethyl 3-chloro-4-fluorobenzoate serves as a crucial building block in the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of fluorinated drug candidates. It is employed in cross-coupling reactions for creating complex aromatic systems in medicinal chemistry. Researchers also utilize this compound as a precursor for liquid crystal materials and specialty polymers requiring halogenated aromatic moieties.

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