6-Bromo-5-(Carboxymethoxy)-2-((Phenylthio )Methyl)-3-Benzofurancarboxylic Acid 3-Ethyl Ester
[CAS# 82039-79-0]

Identification

• Name: 6-Bromo-5-(Carboxymethoxy)-2-((Phenylthio )Methyl)-3-Benzofurancarboxylic Acid 3-Ethyl Ester
• Synonyms: 2-[6-Bromo-3-Ethoxycarbonyl-2-(Phenylsulfanylmethyl)Benzofuran-5-Yl]Oxyacetic Acid; 2-[[6-Bromo-3-Ethoxycarbonyl-2-[(Phenylthio)Methyl]-5-Benzofuranyl]Oxy]Acetic Acid; 2-[6-Bromo-3-Carbethoxy-2-[(Phenylthio)Methyl]Benzofuran-5-Yl]Oxyacetic Acid
• Molecular Formula: C₂₀H₁₇BrO₆S
• Molecular Weight: 465.31
• CAS Registry Number: 82039-79-0
• SMILES: C2=C1C(=C(OC1=CC(=C2OCC(=O)O)Br)CSC3=CC=CC=C3)C(=O)OCC
• InChI: 1S/C20H17BrO6S/c1-2-25-20(24)19-13-8-16(26-10-18(22)23)14(21)9-15(13)27-17(19)11-28-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,22,23)
• InChIKey: GPQFBSLVPVWBIN-UHFFFAOYSA-N

Properties

• Density: 1.586g/cm³ (Cal.)
• Boiling point: 614.527°C at 760 mmHg (Cal.)
• Flash point: 325.454°C (Cal.)