3-Benzoxepin

3-Benzoxepin is an annulated ring system with an aromatic benzene ring and a non-aromatic, unsaturated, oxygen-containing seven-membered heterocyclic oxepin. The first synthesis was described by Karl Dimroth and coworkers in 1961. It is one of the three isomers of the benzoxepins.

3-Benzoxepin
Names
Preferred IUPAC name
3-Benzoxepine
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
  • InChI=1S/C10H8O/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-8H
    Key: APSZPCTXHHKIQO-UHFFFAOYSA-N
SMILES
  • C1=CC=C2C=COC=CC2=C1
Properties
C10H8O
Molar mass 144.173 g·mol−1
Appearance Yellow solid
Melting point 84 (83–84 °C; 84 °C)
Solubility soluble in apolar solvents (diethyl ether, benzene, tetrachloromethane) and alcohols (methanol)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references
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