Phenanthro(3,4-b)thiophene
[CAS# 195-52-8]

Identification

• Name: Phenanthro(3,4-b)thiophene
• Synonyms: Naphtho[1,2-E]Benzothiophene; Zinc00991449; Phenanthro(3,4-B)Thiophene
• Molecular Formula: C₁₆H₁₀S
• Molecular Weight: 234.32
• CAS Registry Number: 195-52-8
• SMILES: C1=CC4=C(C2=C1C=CC3=C2C=CC=C3)C=CS4
• InChI: 1S/C16H10S/c1-2-4-13-11(3-1)5-6-12-7-8-15-14(16(12)13)9-10-17-15/h1-10H
• InChIKey: XRJUVKFVUBGLMG-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 440.716°C at 760 mmHg (Cal.)
• Flash point: 166.058°C (Cal.)

References

• (1): Wolfgang Schrader, Saroj K. Panda, Klaus J. Brockmann and Thorsten Benter. Characterization of non-polar aromatic hydrocarbons in crude oil using atmospheric pressure laser ionization and Fourier transform ion cyclotron resonance mass spectrometry (APLI FT-ICR MS), Analyst, 2008, 133, 867.