1-Methyl-2-nitrobenzimidazole

Base Information

• Chemical Name: 1-Methyl-2-nitrobenzimidazole
• CAS No.: 5709-68-2
• Molecular Formula: C₈H₇N₃O₂
• Molecular Weight: 177.162
• UNII: R89RWB68RB
• DSSTox Substance ID: DTXSID70205707
• Wikidata: Q83079340
• ChEMBL ID: CHEMBL354305
• Mol file: 5709-68-2.mol

Synonyms:1-Methyl-2-nitrobenzimidazole;1-N-Methyl-2-nitrobenzimidazole;5709-68-2;Benzimidazole, 1-methyl-2-nitro-;CCRIS 3258;BRN 0958504;R89RWB68RB;1H-benzimidazole, 1-methyl-2-nitro-;1-methyl-2-nitro-1H-benzimidazole;UNII-R89RWB68RB;CHEMBL354305;DTXSID70205707;AKOS006279833;1-methyl-2-nitro-1H-1,3-benzodiazole;LS-33051

Chemical Property of 1-Methyl-2-nitrobenzimidazole

Chemical Property:

• Vapor Pressure: 6.21E-06mmHg at 25°C
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 378.6°C at 760 mmHg
• Flash Point: 182.8°C
• PSA: 63.64000
• Density: 1.42g/cm³
• LogP: 2.00470
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2N=C1[N+](=O)[O-]

Technology Process of 1-Methyl-2-nitrobenzimidazole

There total 2 articles about 1-Methyl-2-nitrobenzimidazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 53.0%

2-Nitrobenzimidazole (5709-67-1) → 1-Methyl-2-Nitrobenzimidazol (5709-68-2)

Guidance literature:

In toluene; for 2.3h; Heating;

DOI:10.1055/s-1984-30953

Reference yield:

→ 1-Methyl-2-Nitrobenzimidazol (5709-68-2)

Guidance literature:

2-Nitro-benzimidazol, Methyljodid/aethanol. KOH;

DOI:10.1007/BF01159405

upstream raw materials:

2-Nitrobenzimidazole

Refernces