4-Amino-1-Phenyl-8-(Trifluoromethyl)-3H-1,5-Benzodiazepin-2-One
[CAS# 36985-35-0]

Identification

• Name: 4-Amino-1-Phenyl-8-(Trifluoromethyl)-3H-1,5-Benzodiazepin-2-One
• Synonyms: 2H-(1,5)-Benzodiazepin-2-One, 1,3-Dihydro-4-Amino-1-Phenyl-8-(Trifluoromethyl)-; 4-Amino-1-Phenyl-8-(Trifluoromethyl)-2H-1,3-Dihydro-(1,5)-Benzodiazepin-2-One; 5-25-15-00138 (Beilstein Handbook Reference)
• Molecular Formula: C₁₆H₁₂F₃N₃O
• Molecular Weight: 319.29
• CAS Registry Number: 36985-35-0
• SMILES: C1=C(C=CC3=C1N(C2=CC=CC=C2)C(CC(=N3)N)=O)C(F)(F)F
• InChI: 1S/C16H12F3N3O/c17-16(18,19)10-6-7-12-13(8-10)22(11-4-2-1-3-5-11)15(23)9-14(20)21-12/h1-8H,9H2,(H2,20,21)
• InChIKey: VRAXKPZRHYDZFB-UHFFFAOYSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 553.735°C at 760 mmHg (Cal.)
• Flash point: 288.689°C (Cal.)