1H-Benzimidazole-2-carbonitrile,5-nitro-(9CI)

Base Information

• Chemical Name: 1H-Benzimidazole-2-carbonitrile,5-nitro-(9CI)
• CAS No.: 88422-27-9
• Molecular Formula: C₈H₄N₄O₂
• Molecular Weight: 188.145
• Mol file: 88422-27-9.mol

Synonyms:1H-Benzimidazole-2-carbonitrile,5-nitro- (9CI); 2-Cyano-5-nitrobenzimidazole;5-Nitro-2-benzimidazolecarbonitrile

Chemical Property of 1H-Benzimidazole-2-carbonitrile,5-nitro-(9CI)

Chemical Property:

• Boiling Point: 453.0±37.0 °C(Predicted)
• PKA: 7.45±0.10(Predicted)
• PSA: 98.29000
• Density: 1.58±0.1 g/cm3(Predicted)
• LogP: 1.86598

Purity/Quality:

6-nitro-1H-Benzimidazole-2-carbonitrile 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Benzimidazole-2-carbonitrile,5-nitro-(9CI)

There total 3 articles about 1H-Benzimidazole-2-carbonitrile,5-nitro-(9CI) 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: 34.0%

5-nitro-2-(trichloromethyl)-1H-benzo[d]imidazole (3584-84-7) → amide of 5(6)-nitrobenzimidazole-2-carboxylic acid + 2-cyano-5(6)-nitrobenzimidazole (88422-27-9)

Guidance literature:

With ammonium hydroxide;

DOI:10.1007/BF00506400

Reference yield:

amide of 5(6)-nitrobenzimidazole-2-carboxylic acid → 2-cyano-5(6)-nitrobenzimidazole (88422-27-9)

Guidance literature:

With hydrogenchloride; In water; Yield given;

DOI:10.1002/mrc.1260230505

Reference yield:

5-nitro-2-(trichloromethyl)-1H-benzo[d]imidazole (3584-84-7) → 2-cyano-5(6)-nitrobenzimidazole (88422-27-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 30percent ammonia / H₂O

2: concd. hydrochloric acid / H₂O

With hydrogenchloride; ammonium hydroxide; In water;

DOI:10.1002/mrc.1260230505

upstream raw materials:

5-nitro-2-(trichloromethyl)-1H-benzo[d]imidazole