6-Isothiocyanatobenzo[b]Pyrene
[CAS# 152832-13-8]

Identification

• Name: 6-Isothiocyanatobenzo[b]Pyrene
• Synonyms: Ccris 6854; 6-Benzo(A)Pyrenyl Isothiocyanate
• Molecular Formula: C₂₁H₁₁NS
• Molecular Weight: 309.38
• CAS Registry Number: 152832-13-8
• SMILES: S=C=NC1=C3C=CC4=CC=CC5=CC=C(C2=CC=CC=C12)C3=C45
• InChI: 1S/C21H11NS/c23-12-22-21-17-7-2-1-6-15(17)16-10-8-13-4-3-5-14-9-11-18(21)20(16)19(13)14/h1-11H
• InChIKey: ZAZCYCBTCXZZQX-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 555.495°C at 760 mmHg (Cal.)
• Flash point: 318.239°C (Cal.)