Oxepin

Names

IUPAC name

Oxepine

Other names

Oxacycloheptatriene
Benzene oxide

Identifiers

CAS Number

291-70-3^Y

3D model (JSmol)

Interactive image

ChemSpider

4953942^N

PubChem CID

6451477

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

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

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Infobox references

Oxepin is an oxygen-containing heterocycle consisting of a seven-membered ring with three double bonds. It exists as an equilibrium mixture with benzene oxide. The oxepin–benzene oxide equilibrium can easily be shifted to one extreme or the other in compounds with this core depending what substituents are present.^[1] This compound is not aromatic.

Oxepin-benzene oxide equilibrium

References

Wikimedia Commons has media related to Oxepins.

↑ E. Vogel and H. Günther (1967). "Benzene Oxide-Oxepin Valence Tautomerism". Angewandte Chemie International Edition in English. 6 (5): 385–401. doi:10.1002/anie.196703851.

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