Picene
[CAS# 213-46-7]

Identification

• Classification: Analytical chemistry >> Standard >> Volatile organic compounds (VOCs)
• Name: Picene
• Synonyms: .Beta.,.Beta.-Binaphthyleneethene; 1,2,7,8-Dibenzphenanthrene; 1,2:7,8-Dibenzophenanthrene
• Molecular Formula: C₂₂H₁₄
• Molecular Weight: 278.35
• CAS Registry Number: 213-46-7
• EINECS: 205-918-7
• SMILES: C1=C2C(=CC=C1)C=CC3=C2C=CC4=C3C=CC5=C4C=CC=C5
• InChI: 1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
• InChIKey: GBROPGWFBFCKAG-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 367°C (Expl.)
• Boiling point: 518.998°C at 760 mmHg (Cal.)
• Flash point: 264.5±15.1°C (Cal.)

References

• (1): Yoshihiro Kubozono, Hiroki Mitamura, Xuesong Lee, Xuexia He, Yusuke Yamanari, Yosuke Takahashi, Yuta Suzuki, Yumiko Kaji, Ritsuko Eguchi, Koki Akaike, Takashi Kambe, Hideki Okamoto, Akihiko Fujiwara, Takashi Kato, Taichi Kosugi and Hideo Aoki. Metal-intercalated aromatic hydrocarbons: a new class of carbon-based superconductors, Phys. Chem. Chem. Phys., 2011, 13, 16476.