Bicyclo[2,2,1]Hepten-7-One
[CAS 694-71-3]

Identification

• Name: Bicyclo[2,2,1]Hepten-7-One
• Synonyms: 7-Bicyclo[2.2.1]Hept-2-Enone; Bicyclo[2.2.1]Hept-2-Ene-7-One; Nsc143945
• Molecular Formula: C₇H₈O
• Molecular Weight: 108.14
• CAS Registry Number: 694-71-3
• SMILES: O=C1C2C=CC1CC2
• InChI: 1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-2,5-6H,3-4H2
• InChIKey: MFJNQSKGBMOIDF-UHFFFAOYSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 180.152°C at 760 mmHg (Cal.)
• Flash point: 62.255°C (Cal.)

References

• (1): Yasuyuki Yoshitake, Junichi Misaka, Masaki Abe, Masatoshi Yamasaki, Masashi Eto and Kazunobu Harano. Carboxylic acid clathrate hosts of Diels–Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C–H?O hydrogen bonds between the phenanthrene and carbonyl groups in host–host net works, Org. Biomol. Chem., 2003, 1, 1240.