1-Methyl-2-nitrosoimidazole

Base Information

• Chemical Name: 1-Methyl-2-nitrosoimidazole
• CAS No.: 116169-87-0
• Molecular Formula: C4H5 N3 O
• Molecular Weight: 111.1
• UNII: FN48115PKU
• DSSTox Substance ID: DTXSID60151305
• Nikkaji Number: J356.056B
• Wikidata: Q27894323
• Mol file: 116169-87-0.mol

Synonyms:1-methyl-2-nitrosoimidazole;1-MNI

Chemical Property of 1-Methyl-2-nitrosoimidazole

Chemical Property:

• Vapor Pressure: 0.0805mmHg at 25°C
• Boiling Point: 226.7°Cat760mmHg
• Flash Point: 90.9°C
• PSA: 47.25000
• Density: 1.31g/cm³
• LogP: 0.81800
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 111.043261792
• Heavy Atom Count: 8
• Complexity: 95.3

Purity/Quality:

1-METHYL-2-NITROSOIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1N=O

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