3-(8-Chloro-1-Methyl-4H-[1,2,4]Triazolo[4,3-a][1,4]Benzodiazepin-6-Yl)Phenol
[CAS# 141490-47-3]

Identification

• Name: 3-(8-Chloro-1-Methyl-4H-[1,2,4]Triazolo[4,3-a][1,4]Benzodiazepin-6-Yl)Phenol
• Synonyms: 3-(8-Chloro-1-Methyl-4H-(1,2,4)Triazolo(4,3-A)(1,4)Benzodiazepin-6-Yl)Phenol; Phenol, 3-(8-Chloro-1-Methyl-4H-(1,2,4)Triazolo(4,3-A)(1,4)Benzodiazepin-6-Yl)-; U 46195
• Molecular Formula: C₁₇H₁₃ClN₄O
• Molecular Weight: 324.77
• CAS Registry Number: 141490-47-3
• SMILES: C1=CC(=CC3=C1[N]2C(=NN=C2C)CN=C3C4=CC=CC(=C4)O)Cl
• InChI: 1S/C17H13ClN4O/c1-10-20-21-16-9-19-17(11-3-2-4-13(23)7-11)14-8-12(18)5-6-15(14)22(10)16/h2-8,23H,9H2,1H3
• InChIKey: GGQZNQSJWZEGBR-UHFFFAOYSA-N

Properties

• Density: 1.457g/cm³ (Cal.)
• Boiling point: 573.346°C at 760 mmHg (Cal.)
• Flash point: 300.549°C (Cal.)