4,5-Pyrenedione
[CAS# 6217-22-7]

Identification

• Name: 4,5-Pyrenedione
• Synonyms: Pyrene-4,5-Quinone; 4,5-Pyrenedione; 4,5-Pyrenequinone
• Molecular Formula: C₁₆H₈O₂
• Molecular Weight: 232.24
• CAS Registry Number: 6217-22-7
• SMILES: C3=C4C2=C1C(=CC=CC1=CC=C2C=C3)C(=O)C4=O
• InChI: 1S/C16H8O2/c17-15-11-5-1-3-9-7-8-10-4-2-6-12(16(15)18)14(10)13(9)11/h1-8H
• InChIKey: JKCATVQPENLMQJ-UHFFFAOYSA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 467.56°C at 760 mmHg (Cal.)
• Flash point: 202.169°C (Cal.)

References

• (1): Jeremy K. Klosterman, Yoshihiro Yamauchi and Makoto Fujita. Engineering discrete stacks of aromatic molecules, Chem. Soc. Rev., 2009, 38, 1714.