alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol

Base Information

• Chemical Name: alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
• CAS No.: 62580-79-4
• Molecular Formula: C7H10ClN3O4
• Molecular Weight: 235.625
• DSSTox Substance ID: DTXSID80978157
• Nikkaji Number: J363.046C
• Metabolomics Workbench ID: 46579
• Mol file: 62580-79-4.mol

Synonyms:alpha-(chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol;M1-ornidazole

Chemical Property of alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol

Chemical Property:

• Vapor Pressure: 5.46E-11mmHg at 25°C
• Boiling Point: 504.2°Cat760mmHg
• Flash Point: 258.8°C
• PSA: 104.10000
• Density: 1.66g/cm³
• LogP: 0.40650
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 235.0359835
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N(C(=N1)CO)CC(CCl)O)[N+](=O)[O-]
• Uses: Ornidazole-hydroxy is a metabolite of Ornidazole(O688500) an Anti-infective.

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