Description

Ethyl 3-Bromo-5-chlorobenzoate (CAS No. 1095274-55-7) is a high-purity benzoate ester derivative with the molecular formula C₉H₈BrClO₂. This specialized organic compound is widely utilized in pharmaceutical and agrochemical research as a key intermediate for synthesizing complex molecules. The presence of both bromo and chloro substituents on the aromatic ring enhances its reactivity, making it particularly valuable for cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig reactions. Our product is rigorously tested to ensure >98% purity (HPLC/GC) and is supplied in sealed, light-resistant packaging to maintain stability. Ideal for researchers in medicinal chemistry, this compound offers excellent solubility in common organic solvents like DCM, THF, and DMF.

Properties

• CAS Number: 1095274-55-7
• Complexity: 186
• IUPAC Name: ethyl 3-bromo-5-chloro-benzoate
• InChI: InChI=1S/C9H8BrClO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
• InChI Key: PQIMKYGTOMCPME-UHFFFAOYSA-N
• Exact Mass: 261.93962
• Molecular Formula: C9H8BrClO2
• Molecular Weight: 263.51
• SMILES: CCOC(=O)C1=CC(=CC(=C1)Br)Cl
• Topological: 26.3
• Monoisotopic Mass: 261.93962
• Synonyms: Ethyl 3-Bromo-5-chlorobenzoate, 1095274-55-7, 3-Bromo-5-chloro-benzoic acid ethyl ester, Ethyl3-Bromo-5-chlorobenzoate, SCHEMBL4758271, PQIMKYGTOMCPME-UHFFFAOYSA-N, DTXSID201306265, MFCD10566220, AKOS017555485, 3-Bromo-5-chlorobenzoic acid ethyl ester, CS-16262, DB-204402, CS-0094436, F53830

Application

Ethyl 3-Bromo-5-chlorobenzoate serves as a versatile building block in organic synthesis, particularly for developing pharmaceutical candidates through palladium-catalyzed coupling reactions. Researchers utilize this compound to introduce halogenated benzoate motifs into larger molecular architectures. Its dual halogen functionality allows for selective further functionalization, making it valuable in structure-activity relationship (SAR) studies. The compound finds specific application in the synthesis of potential kinase inhibitors and antimicrobial agents.

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