Description

Ethyl 3,4-Dichlorobenzoate (CAS No. 28394-58-3) is a high-purity organic compound with the molecular formula C₉H₈Cl₂O₂. This ester derivative of 3,4-dichlorobenzoic acid is widely utilized in pharmaceutical, agrochemical, and material science research. It appears as a clear to pale-yellow liquid or low-melting solid with a characteristic aromatic ester odor. The compound exhibits excellent solubility in common organic solvents like ethanol, acetone, and dichloromethane, while being practically insoluble in water. Our product is synthesized under strict quality control measures, ensuring ≥98% purity by GC analysis, and is supplied in amber glass bottles to maintain stability. Ideal for use as a synthetic intermediate, this chemical is particularly valuable for constructing more complex molecules through ester transformations or nucleophilic substitution reactions at the aromatic chlorine positions.

Properties

• CAS Number: 28394-58-3
• Complexity: 184
• IUPAC Name: ethyl 3,4-dichlorobenzoate
• InChI: InChI=1S/C9H8Cl2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
• InChI Key: YONQPSPHUKKUEJ-UHFFFAOYSA-N
• Exact Mass: 217.9901349
• Molecular Formula: C9H8Cl2O2
• Molecular Weight: 219.06
• SMILES: CCOC(=O)C1=CC(=C(C=C1)Cl)Cl
• Topological: 26.3
• Monoisotopic Mass: 217.9901349
• Synonyms: 28394-58-3, Benzoic acid, 3,4-dichloro-, ethyl ester, Ethyl 3,4-dichlorobenzoate, Ethyl 3,4-Dichloro Benzoate, ethyl-3,4-dichlorobenzoate, 3,4-Dichlorobenzoic acid ethyl ester, Ethyl3,4-dichlorobenzoate, SCHEMBL3256021, 3,4-dichlorobenzoic ethyl ester, SCHEMBL10980899, DTXSID10467261, MFCD06204554, AKOS008948183, DS-10172, DB-342948, CS-0151789, H11057

Application

Ethyl 3,4-dichlorobenzoate serves as a versatile building block in organic synthesis, particularly in the preparation of pharmaceuticals and agricultural chemicals. Researchers employ this compound as a precursor for synthesizing various benzoic acid derivatives through hydrolysis or transesterification reactions. In material science, it finds application as an intermediate for liquid crystal compounds and polymer modifiers. The dichloro substitution pattern makes it valuable for studying structure-activity relationships in medicinal chemistry programs.

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