Oxepin

Oxepin

Names
Preferred IUPAC name Oxepine
Other names Oxacycloheptatriene
Identifiers
CAS Number	291-70-3 Y
3D model (JSmol)	Interactive image
ChemSpider	4953942 Y
PubChem CID	6451477
CompTox Dashboard (EPA)	DTXSID10183353
InChI InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H N Key: ATYBXHSAIOKLMG-UHFFFAOYSA-N N InChI=1/C6H6O/c1-2-4-6-7-5-3-1/h1-6H Key: ATYBXHSAIOKLMG-UHFFFAOYAS
SMILES C1=CC=COC=C1
Properties
Chemical formula	C6H6O
Molar mass	94.11 g/mol
Related compounds
Related compounds	Cyclohexene oxide
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

Oxepin is an oxygen-containing heterocycle consisting of a seven-membered ring with three double bonds. The parent C₆H₆O exists as an equilibrium mixture with benzene oxide. The oxepin–benzene oxide equilibrium is affected by the ring substituents. A related dimethyl derivative exists mainly as the oxepin isomer, an orange liquid.

Formation and selected reactions of benzene oxide (2) and oxepin (3).

Oxepin is an intermediate in the oxidation of benzene by the cytochrome P450 (CYP). Other arene oxides are metabolites of the parent arene.