Irazepine
[CAS# 71735-92-7]

Identification

• Name: Irazepine
• Synonyms: 1-(2-Isothiocyantoethyl)-7-Chloro-1,3-Dihydro-5-(2-Fluorophenyl)-2H-1,4-Benzodiazepine-2-One; 2H-1,4-Benzodiazepin-2-One, 7-Chloro-5-(2-Fluorophenyl)-1,3-Dihydro-1-(2-Isothiocyanatoethyl)-; Irazepine
• Molecular Formula: C₁₈H₁₃ClFN₃OS
• Molecular Weight: 373.83
• CAS Registry Number: 71735-92-7
• SMILES: S=C=NCCN1C3=C(C(=NCC1=O)C2=CC=CC=C2F)C=C(Cl)C=C3
• InChI: 1S/C18H13ClFN3OS/c19-12-5-6-16-14(9-12)18(13-3-1-2-4-15(13)20)22-10-17(24)23(16)8-7-21-11-25/h1-6,9H,7-8,10H2
• InChIKey: LTKSVYFAUMFQML-UHFFFAOYSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 600.402°C at 760 mmHg (Cal.)
• Flash point: 316.912°C (Cal.)