3-Amino-7-bromo-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
[CAS# 70890-49-2]

Identification

• Name: 3-Amino-7-bromo-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
• Synonyms: 3-Amino-7-bromo-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
• Molecular Formula: C₁₅H₁₂BrN₃O
• Molecular Weight: 330.18
• CAS Registry Number: 70890-49-2
• SMILES: Brc3cc\1c(NC(=O)C(/N=C/1c2ccccc2)N)cc3
• InChI: 1S/C15H12BrN3O/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(17)15(20)18-12/h1-8,14H,17H2,(H,18,20)
• InChIKey: SZWRILOUNSBJOH-UHFFFAOYSA-N

Properties

• Density: 1.614g/cm³ (Cal.)
• Boiling point: 495.637°C at 760 mmHg (Cal.)
• Flash point: 253.553°C (Cal.)