4-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]Pyrocatechol
[CAS# 42580-28-9]

Identification

• Name: 4-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]Pyrocatechol
• Synonyms: 4-[(1-Phenyl-2,3-Dihydrotetrazol-5-Yl)Sulfanyl]-1,2-Benzoquinone; 4-[(1-Phenyl-2,3-Dihydrotetrazol-5-Yl)Thio]-1,2-Benzoquinone; 4-[(1-Phenyl-2,3-Dihydrotetrazol-5-Yl)Thio]-O-Benzoquinone
• Molecular Formula: C₁₃H₁₀N₄O₂S
• Molecular Weight: 286.31
• CAS Registry Number: 42580-28-9
• EINECS: 255-897-3
• SMILES: C3=C(N1NNN=C1SC2=CC(=O)C(=O)C=C2)C=CC=C3
• InChI: 1S/C13H10N4O2S/c18-11-7-6-10(8-12(11)19)20-13-14-15-16-17(13)9-4-2-1-3-5-9/h1-8,15-16H
• InChIKey: ZAXRKXIPWUUZRC-UHFFFAOYSA-N

Properties

• Density: 1.504g/cm³ (Cal.)
• Boiling point: 411.142°C at 760 mmHg (Cal.)
• Flash point: 202.452°C (Cal.)