4-(4,5-Dinitroimidazol-1-yl)butan-2-one

Base Information

• Chemical Name: 4-(4,5-Dinitroimidazol-1-yl)butan-2-one
• CAS No.: 330965-06-5
• Molecular Formula: C7H8N4O5
• Molecular Weight: 228.16
• DSSTox Substance ID: DTXSID40382695
• Wikidata: Q82174072
• Mol file: 330965-06-5.mol

Synonyms:4-(4,5-dinitroimidazol-1-yl)butan-2-one;330965-06-5;4-(4,5-Dinitro-imidazol-1-yl)-butan-2-one;DTXSID40382695;AKOS000601615;AG-690/08786025

Chemical Property of 4-(4,5-Dinitroimidazol-1-yl)butan-2-one

Chemical Property:

• Vapor Pressure: 6.77E-11mmHg at 25°C
• Refractive Index: 1.656
• Boiling Point: 519.5 °C at 760 mmHg
• Flash Point: 268 °C
• PSA: 126.53000
• Density: 1.63 g/cm³
• LogP: 1.72500
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 228.04946937
• Heavy Atom Count: 16
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCN1C=NC(=C1[N+](=O)[O-])[N+](=O)[O-]