1-(2,3-Dichloropropyl)-2-methyl-5-nitroimidazole

Base Information

• Chemical Name: 1-(2,3-Dichloropropyl)-2-methyl-5-nitroimidazole
• CAS No.: 53726-70-8
• Molecular Formula: C7H9Cl2N3O2
• Molecular Weight: 238.07
• DSSTox Substance ID: DTXSID60968495
• Nikkaji Number: J86.817E
• Mol file: 53726-70-8.mol

Synonyms:1-(2,3-Dichloropropyl)-2-methyl-5-nitroimidazole;53726-70-8;1-(2,3-dichloropropyl)-2-methyl-5-nitro-1h-imidazole;Imidazole, 1-(2,3-dichloropropyl)-2-methyl-5-nitro-;DTXSID60968495

Chemical Property of 1-(2,3-Dichloropropyl)-2-methyl-5-nitroimidazole

Chemical Property:

• Vapor Pressure: 1.71E-06mmHg at 25°C
• Melting Point: 123-124 °C(Solv: ethanol (64-17-5))
• Boiling Point: 408°C at 760 mmHg
• PKA: 2.28±0.35(Predicted)
• Flash Point: 200.5°C
• PSA: 63.64000
• Density: 1.53g/cm³
• LogP: 2.46910
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 237.0071819
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1CC(CCl)Cl)[N+](=O)[O-]

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