Dibenzo(b,h)pyrene
[CAS# 189-55-9]

Identification

• Name: Dibenzo(b,h)pyrene
• Synonyms: 4-05-00-02803 (Beilstein Handbook Reference); Brn 1881370; Benzo(R,S,T)Pentaphene
• Molecular Formula: C₂₄H₁₄
• Molecular Weight: 302.37
• CAS Registry Number: 189-55-9
• EINECS: 205-877-5
• SMILES: C1=C2C(=CC=C1)C=C6C3=C2C=CC4=C3C(=CC5=C4C=CC=C5)C=C6
• InChI: 1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H
• InChIKey: TUGYIJVAYAHHHM-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 552.265°C at 760 mmHg (Cal.)
• Flash point: 281.957°C (Cal.)

References

• (1): Alexandru T. Balaban and Milan Randić. Correlations between various ways of accounting for the distribution of π-electrons in benzenoids, New J. Chem., 2008, 32, 1071.