1-Propargyl-5-nitroimidazole

Base Information

• Chemical Name: 1-Propargyl-5-nitroimidazole
• CAS No.: 42307-14-2
• Molecular Formula: C6H5N3O2
• Molecular Weight: 151.1228
• DSSTox Substance ID: DTXSID00195127
• Nikkaji Number: J1.618.204D
• Mol file: 42307-14-2.mol

Synonyms:1-propargyl-5-nitroimidazole

Chemical Property of 1-Propargyl-5-nitroimidazole

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Boiling Point: 347.6°C at 760 mmHg
• Flash Point: 164°C
• Density: 1.25g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.038176411
• Heavy Atom Count: 11
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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