Benzo[b]Phenanthro[2,3-d]Thiophene
[CAS# 248-85-1]

Identification

• Name: Benzo[b]Phenanthro[2,3-d]Thiophene
• Synonyms: 9-Thianaphtho(1',2':2,3)Fluorene; Benzo(B)Phenanthro(2,3-D)Thiophene
• Molecular Formula: C₂₀H₁₂S
• Molecular Weight: 284.37
• CAS Registry Number: 248-85-1
• SMILES: C1=CC=CC4=C1C3=CC2=CC=C5C(=C2C=C3S4)C=CC=C5
• InChI: 1S/C20H12S/c1-2-6-15-13(5-1)9-10-14-11-18-16-7-3-4-8-19(16)21-20(18)12-17(14)15/h1-12H
• InChIKey: GDBRLJQTLSLZLH-UHFFFAOYSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 523.215°C at 760 mmHg (Cal.)
• Flash point: 205.129°C (Cal.)

References

• (1): Subodh Kumar. Synthesis of trans-3,4-dihydroxy-3,4-dihydrophenanthro[3,2-b?][1]benzothiophene, a potentially carcinogenic metabolite of sulfur heterocycle phenanthro[3,2-b?][1]benzothiophene, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 1018.