1,4-Benzodiazepine

Base Information

• Chemical Name: 1,4-Benzodiazepine
• CAS No.: 264-64-2
• Molecular Formula: C9H8 N2
• Molecular Weight: 144.1732
• DSSTox Substance ID: DTXSID40949287
• Nikkaji Number: J353.481B
• Wikidata: Q27117844
• Metabolomics Workbench ID: 55861
• Mol file: 264-64-2.mol

Synonyms:1,4-benzodiazepine;1,4-benzodiazepine-2,5-dione;2H-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-1-methyl-3-(2-naphthalenylmethyl)-;BZ 423;Bz-423

Chemical Property of 1,4-Benzodiazepine

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Boiling Point: 255.1°Cat760mmHg
• PKA: 9.57±0.20(Predicted)
• Flash Point: 108.1°C
• PSA: 24.39000
• Density: 1.11g/cm³
• LogP: 1.57580
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.068748264
• Heavy Atom Count: 11
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=NC=CN2