4-Dimethylamino-1-Phenyl-8-(Trifluoromethyl)-3H-1,5-Benzodiazepin-2-One
[CAS# 36985-47-4]

Identification

• Name: 4-Dimethylamino-1-Phenyl-8-(Trifluoromethyl)-3H-1,5-Benzodiazepin-2-One
• Synonyms: 2H-(1,5)-Benzodiazepin-2-One, 1,3-Dihydro-4-(Dimethylamino)-1-Phenyl-8-(Trifluor; 2H-(1,5)-Benzodiazepin-2-One, 1,3-Dihydro-4-(Dimethylamino)-1-Phenyl-8-(Trifluoromethyl)-; 4-(Dimethylamino)-1-Phenyl-8-(Trifluoromethyl)-2H-1,3-Dihydro-(1,5)-Benzodiazepine-2-One
• Molecular Formula: C₁₈H₁₆F₃N₃O
• Molecular Weight: 347.34
• CAS Registry Number: 36985-47-4
• SMILES: C1=C(C(F)(F)F)C=CC2=C1N(C(=O)CC(=N2)N(C)C)C3=CC=CC=C3
• InChI: 1S/C18H16F3N3O/c1-23(2)16-11-17(25)24(13-6-4-3-5-7-13)15-10-12(18(19,20)21)8-9-14(15)22-16/h3-10H,11H2,1-2H3
• InChIKey: JPKQTZQKHUBTAW-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 523.549°C at 760 mmHg (Cal.)
• Flash point: 270.433°C (Cal.)