Description

Ethyl (5-bromobenzofuran)-2-carboxylate (CAS No. 84102-69-2) is a high-purity organic compound with the molecular formula C₁₁H₉BrO₃. This benzofuran derivative is widely used in pharmaceutical research, agrochemical development, and material science due to its versatile reactivity and bromine substitution. The compound features an ethyl ester group at the 2-position of the benzofuran core, making it an excellent intermediate for further functionalization via cross-coupling reactions, nucleophilic substitutions, or ester hydrolysis. With a molecular weight of 269.09 g/mol, it is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for synthetic applications. Ideal for Suzuki-Miyaura, Buchwald-Hartwig, or other palladium-catalyzed transformations, this reagent is packaged under inert conditions to guarantee stability. Available in research (mg to g) and bulk (kg) quantities, it includes comprehensive analytical data (NMR, MS, HPLC) for quality assurance.

Properties

• CAS Number: 84102-69-2
• Complexity: 244
• IUPAC Name: ethyl 5-bromobenzofuran-2-carboxylate
• InChI: InChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
• InChI Key: XLJWAHXKBCDQNP-UHFFFAOYSA-N
• Exact Mass: 267.97351
• Molecular Formula: C11H9BrO3
• Molecular Weight: 269.09
• SMILES: CCOC(=O)C1=CC2=C(O1)C=CC(=C2)Br
• Topological: 39.4
• Monoisotopic Mass: 267.97351
• Synonyms: ethyl (5-bromobenzofuran)-2-carboxylate, 640-889-8, Ethyl 5-bromobenzofuran-2-carboxylate, 84102-69-2, ethyl 5-bromo-1-benzofuran-2-carboxylate, Ethyl(5-bromobenzofuran)-2-carboxylate, 5-Bromo-benzofuran-2-carboxylic acid ethyl ester, MFCD02667598, 5-Bromo-2-(ethoxycarbonyl)-1-benzofuran, Ethyl 5-bromobenzo[b]furan-2-carboxylate, SCHEMBL2084419, DTXSID30352746, XLJWAHXKBCDQNP-UHFFFAOYSA-N, STL477789, XH0867, Ethyl 5-bromo-2-benzofurancarboxylate, AKOS002251253, Ethyl 5-bromo-benzofuran-2-carboxylate, ethyl 5-bromobenzo[d]furan-2-carboxylate, DB-017723, CS-0129915, ST50207852, 2Y-0815, F3099-5815

Ethyl (5-bromobenzofuran)-2-carboxylate serves as a key building block in medicinal chemistry for the synthesis of benzofuran-based drug candidates targeting CNS disorders and inflammation. Its bromine moiety enables Pd-catalyzed cross-coupling to introduce aryl or heteroaryl groups, while the ester allows conversion to acids or amides. Researchers also utilize it in OLED material development due to the benzofuran scaffold’s luminescent properties. In agrochemicals, it acts as a precursor for fungicides and herbicides.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (50%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.