Ethyl 5-Oxo-2,3,4,5-Tetrahydro-1-Benzoxepine-4-Carboxylate
[CAS# 251554-29-7]

Identification

• Name: Ethyl 5-Oxo-2,3,4,5-Tetrahydro-1-Benzoxepine-4-Carboxylate
• Synonyms: 1-BENZOXEPIN-4-CARBOXYLICACID, 2,3,4,5-TETRAHYDRO-5-OXO-, ETHYL ESTER; 4-Ethoxycarbonyl-3,4-dihydro-2H-benzo[b]oxepin-5-one
• Molecular Formula: C₁₃H₁₄O₄
• Molecular Weight: 234.25
• CAS Registry Number: 251554-29-7
• SMILES: CCOC(=O)C2CCOc1ccccc1C2=O
• InChI: 1S/C13H14O4/c1-2-16-13(15)10-7-8-17-11-6-4-3-5-9(11)12(10)14/h3-6,10H,2,7-8H2,1H3
• InChIKey: LTHIQXWICUIQFY-UHFFFAOYSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 359.351°C at 760 mmHg (Cal.)
• Flash point: 159.255°C (Cal.)
• Refractive index: 1.529 (Cal.)