Benzo(a)Pyrenyl-6-Sulphate
[CAS# 64811-02-5]

Identification

• Name: Benzo(a)Pyrenyl-6-Sulphate
• Synonyms: 6-Benzo[B]Pyrenol; C14576; Benzo(A)Pyrenol
• Molecular Formula: C₂₀H₁₂O
• Molecular Weight: 268.31
• CAS Registry Number: 64811-02-5 (33953-73-0)
• SMILES: C2=C1C(=C3C=CC4=CC=CC5=CC=C(C1=CC=C2)C3=C45)O
• InChI: 1S/C20H12O/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11,21H
• InChIKey: MGTMTTGZMPDIQS-UHFFFAOYSA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 527.227°C at 760 mmHg (Cal.)
• Flash point: 252.929°C (Cal.)