8-Chloro-6-(2-chlorophenyl)-1-[(phenylsulfanyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
[CAS# 85677-81-2]

Identification

• Name: 8-Chloro-6-(2-chlorophenyl)-1-[(phenylsulfanyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
• Synonyms: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((phenylthio)methyl)-; BRN 4594556
• Molecular Formula: C₂₃H₁₆Cl₂N₄S
• Molecular Weight: 451.37
• CAS Registry Number: 85677-81-2
• SMILES: Clc5ccccc5C/2=N/Cc1nnc(n1c3c\2cc(Cl)cc3)CSc4ccccc4
• InChI: 1S/C23H16Cl2N4S/c24-15-10-11-20-18(12-15)23(17-8-4-5-9-19(17)25)26-13-21-27-28-22(29(20)21)14-30-16-6-2-1-3-7-16/h1-12H,13-14H2
• InChIKey: FCGASBQOWFUKKE-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 640.175°C at 760 mmHg (Cal.)
• Flash point: 340.966°C (Cal.)