4-Ethynyl-2-benzofuran-1,3-dione
[CAS# 646052-77-9]

Identification

• Name: 4-Ethynyl-2-benzofuran-1,3-dione
• Synonyms: 1,3-ISOBENZOFURANDIONE, 4-ETHYNYL-; 1,3-Isobenzofurandione,4-ethynyl-; 4-ethynylisobenzofuran-1,3-dione
• Molecular Formula: C₁₀H₄O₃
• Molecular Weight: 172.14
• CAS Registry Number: 646052-77-9
• SMILES: C#Cc1cccc2c1C(=O)OC2=O
• InChI: 1S/C10H4O3/c1-2-6-4-3-5-7-8(6)10(12)13-9(7)11/h1,3-5H
• InChIKey: VCJUSEFXUWAMHH-UHFFFAOYSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 346.41°C at 760 mmHg (Cal.)
• Flash point: 171.686°C (Cal.)
• Refractive index: 1.625 (Cal.)