Irazepine

Base Information

• Chemical Name: Irazepine
• CAS No.: 71735-92-7
• Molecular Formula: C18H13 Cl F N3 O S
• Molecular Weight: 0
• UNII: 8ESB4CKN8K
• DSSTox Substance ID: DTXSID70992367
• Nikkaji Number: J21.236I
• Wikipedia: Irazepine
• Wikidata: Q25100398
• Mol file: 71735-92-7.mol

Synonyms:1-(2-isothiocyantoethyl)-7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepine-2-one;irazepine;irazepine monohydrochloride

Chemical Property of Irazepine

Chemical Property:

• Vapor Pressure: 2.25E-14mmHg at 25°C
• Boiling Point: 600.4°C at 760 mmHg
• Flash Point: 316.9°C
• PSA: 77.12000
• Density: 1.35g/cm³
• LogP: 3.26650
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 373.0451891
• Heavy Atom Count: 25
• Complexity: 581

Purity/Quality:

IRAZEPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN=C=S