Oxepine
[CAS# 291-70-3]

Identification

• Name: Oxepine
• Synonyms: Oxacycloheptatriene; Oxepin
• Molecular Formula: C₆H₆O
• Molecular Weight: 94.11
• CAS Registry Number: 291-70-3
• SMILES: O1C=CC=CC=C1
• InChI: 1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H
• InChIKey: ATYBXHSAIOKLMG-UHFFFAOYSA-N

Properties

• Density: 0.989g/cm³ (Cal.)
• Boiling point: 183.111°C at 760 mmHg (Cal.)
• Flash point: 56.06°C (Cal.)

References

• (1): Derek R. Boyd, Narain D. Sharma, John S. Harrison, John. F. Malone, W. Colin McRoberts, John T. G. Hamilton and David B. Harper. Enzyme-catalysed synthesis and reactions of benzene oxide/oxepine derivatives of methyl benzoates, Org. Biomol. Chem., 2008, 6, 1251.