Description

Methyl benzofuran-6-carboxylate (CAS No. 588703-29-1) is a high-purity organic compound with the molecular formula C₁₀H₈O₃. This ester derivative of benzofuran-6-carboxylic acid is a valuable intermediate in pharmaceutical, agrochemical, and materials science research. Its IUPAC name, methyl 1-benzofuran-6-carboxylate, reflects its precise chemical structure featuring a benzofuran ring system with a carboxylate ester at the 6-position.

Our product is synthesized under strict quality control measures and is available in various quantities to meet both research and bulk requirements. Typical purity levels exceed 97% (HPLC), with detailed analytical data including ¹H NMR, ¹³C NMR, and mass spectra available upon request. The compound is supplied in amber glass vials or sealed containers to ensure stability and longevity.

Key applications include its use as a building block in medicinal chemistry, particularly in the development of novel heterocyclic compounds with potential biological activity. Researchers will appreciate its consistent quality, reliable supply, and comprehensive documentation including Certificate of Analysis and Safety Data Sheet.

Properties

• CAS Number: 588703-29-1
• Complexity: 202
• IUPAC Name: methyl benzofuran-6-carboxylate
• InChI: InChI=1S/C10H8O3/c1-12-10(11)8-3-2-7-4-5-13-9(7)6-8/h2-6H,1H3
• InChI Key: GVDHNZDNWGZFLB-UHFFFAOYSA-N
• Exact Mass: 176.047344113
• Molecular Formula: C10H8O3
• Molecular Weight: 176.17
• SMILES: COC(=O)C1=CC2=C(C=C1)C=CO2
• Topological: 39.4
• Monoisotopic Mass: 176.047344113
• Synonyms: Methyl benzofuran-6-carboxylate, 588703-29-1, methyl 1-benzofuran-6-carboxylate, 6-Benzofurancarboxylic acid, methyl ester, methylbenzofuran-6-carboxylate, MFCD11977827, S55DW93ZXJ, Methyl 6-benzofurancarboxylate, SCHEMBL3641214, SCHEMBL16288925, DTXSID20626044, GVDHNZDNWGZFLB-UHFFFAOYSA-N, AKOS016008142, SB16255, AS-38699, FM141329, SY069050, DB-334903, CS-0044331, EN300-157237

Application

Methyl benzofuran-6-carboxylate serves as a versatile intermediate in organic synthesis, particularly in the construction of benzofuran-containing pharmaceuticals. Researchers utilize this compound in the development of potential therapeutic agents targeting neurological and inflammatory pathways. Its ester functionality makes it valuable for further derivatization through hydrolysis or transesterification reactions. The benzofuran core structure is of significant interest in materials science for creating novel organic electronic materials.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• 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.