8-Chloro-6-Phenyl-4H-[1,2,4]Triazolo[4,3-a][1,4]Benzodiazepine
[CAS# 53180-72-6]

Identification

• Name: 8-Chloro-6-Phenyl-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-phenyl-; 4H-[1,2,4]Triazolo[4,3-a][1, 4]benzodiazepine, 8-chloro-6-phenyl-; 4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-phenyl-
• Molecular Formula: C₁₆H₁₁ClN₄
• Molecular Weight: 294.74
• CAS Registry Number: 53180-72-6
• SMILES: ClC1C=C2C(N3C(CN=C2C2C=CC=CC=2)=NN=C3)=CC=1 C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
• InChI: 1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
• InChIKey: CDCHDCWJMGXXRH-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 489.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 250.1±31.5°C (Cal.)