Description

Ethyl 4-bromobenzoate (CAS No. 5798-75-4) is a high-purity organic compound with the molecular formula C₉H₉BrO₂. This ester derivative of 4-bromobenzoic acid is a versatile building block in synthetic organic chemistry, particularly in pharmaceutical and agrochemical research. It appears as a clear to pale yellow liquid or low-melting solid with a characteristic aromatic ester odor. The compound is soluble in common organic solvents like ethanol, methanol, and dichloromethane, but insoluble in water. With a molecular weight of 229.07 g/mol, it offers excellent reactivity for nucleophilic substitution reactions at the bromine position while maintaining ester functionality for further transformations. Our product is rigorously tested to ensure ≥98% purity (GC), making it ideal for sensitive applications. Proper storage at 2-8°C in a tightly sealed container under inert atmosphere is recommended to maintain stability.

Properties

• CAS Number: 5798-75-4
• Complexity: 151
• IUPAC Name: ethyl 4-bromobenzoate
• InChI: InChI=1S/C9H9BrO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
• InChI Key: XZIAFENWXIQIKR-UHFFFAOYSA-N
• Exact Mass: 227.97859
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.07
• SMILES: CCOC(=O)C1=CC=C(C=C1)Br
• Topological: 26.3
• Monoisotopic Mass: 227.97859
• Synonyms: Ethyl 4-bromobenzoate, 4-Bromobenzoic Acid Ethyl Ester, ETHYL P-BROMOBENZOATE, Benzoic acid, 4-bromo-, ethyl ester, Ethyl-4-bromobenzoate, 4-Carbethoxyphenyl bromide, 4-Bromobenzoic acid, ethyl ester, UNII-58G35541Q1, 4-(Ethoxycarbonyl)-1-bromobenzene, EINECS 227-347-2, NSC 67387, NSC-67387, AI3-11086, 58G35541Q1, DTXSID9064005, P-BROMOBENZOIC ACID ETHYL ESTER, 4-BROMOBENZOIC ACID ETHYL ESTER [MI], DTXCID5042291, 227-347-2, xziafenwxiqikr-uhfffaoysa-n, 5798-75-4, ethyl4-bromobenzoate, p-(Ethoxycarbonyl)phenyl bromide, Benzoic acid, p-bromo-, ethyl ester, 4-bromo-benzoic acid ethyl ester, MFCD00016329, ethyl-p-bromobenzoate, ethyl 4-bromo-benzoate, ethyl 4-bromanylbenzoate, NCIOpen2_003447, Ethyl 4-bromobenzoate, 98%, SCHEMBL274513, SCHEMBL8743220, SCHEMBL8743221, 4-bromo benzoic acid ethyl ester, 4-bromo-benzoic acid-ethyl ester, NSC67387, STR02382, AB7143, SBB065108, AKOS008948173, CS-W007730, FE70444, PS-3134, SY004994, B1515, NS00033827, ST50307124, EN300-103170, A831695, Q27261588, F0001-1512

Application

Ethyl 4-bromobenzoate serves as a key intermediate in Suzuki-Miyaura cross-coupling reactions for biaryl synthesis. Researchers utilize it in the preparation of liquid crystal materials and pharmaceutical precursors. The compound finds particular use in developing non-steroidal anti-inflammatory drug (NSAID) analogs and other bioactive molecules where the 4-bromo-substituted benzoate moiety is required.

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