1H-Benzimidazole-1-carbonitrile(9CI)

Base Information

• Chemical Name: 1H-Benzimidazole-1-carbonitrile(9CI)
• CAS No.: 31892-41-8
• Molecular Formula: C8H5 N3
• Molecular Weight: 143.148
• Hs Code.: 29339900
• Mol file: 31892-41-8.mol

Synonyms:1-Benzimidazolecarbonitrile(8CI); 1-Cyanobenzimidazole

Chemical Property of 1H-Benzimidazole-1-carbonitrile(9CI)

Chemical Property:

• Melting Point: 98-106°C
• Boiling Point: 303.6±25.0 °C(Predicted)
• PKA: 0.69±0.10(Predicted)
• PSA: 41.61000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 1.36548

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Cyanobenzimidazole 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-37/38-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 1-Cyanobenzimidazole can be used:To prepare alkyl benzimidazole-1-carboximidates and 1H-benzimidazole-1-carbohydrazonamide by reacting with aliphatic alcohols and excess of hydrazine, respectively.As an electrophilic cyanating reagent in cyanation reactions including aryl and heteroaryl Grignard reagents.

Technology Process of 1H-Benzimidazole-1-carbonitrile(9CI)

There total 4 articles about 1H-Benzimidazole-1-carbonitrile(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: 100.0%

benzoimidazole (51-17-2,79351-71-6) + bromocyane (506-68-3) → N-cyano-benzimidazole (31892-41-8)

Guidance literature:

With trimethylamine; Ambient temperature;

DOI:10.1002/(SICI)1521-3765(19981204)4:12<2467::AID-CHEM2467>3.0.CO;2-D

Reference yield:

tetrazolo[1,5-a]quinoxaline (235-27-8) → N-cyanoanthranilonitrile (31892-42-9) + N-cyano-benzimidazole (31892-41-8)

Guidance literature:

at 600 ℃; for 0.5h; Flash vacuum thermolysis; Continuous flow conditions;

DOI:10.1021/ja111155r

Reference yield:

tetrazolo<1,5-c>quinazoline (234-77-5) → N-cyanoanthranilonitrile (31892-42-9) + N-cyano-benzimidazole (31892-41-8)

Guidance literature:

at 600 ℃; for 0.416667h; Flash vacuum thermolysis; Continuous flow conditions;

DOI:10.1021/ja111155r

upstream raw materials:

benzoimidazole

bromocyane

tetrazolo[1,5-a]quinoxaline

tetrazolo<1,5-c>quinazoline

Downstream raw materials:

4-[1H-benzimidazol-1-yl(imino)methyl]-N,N-dimethylaniline

benzo[b]thiophene-3-carbonitrile

pyridine-3-carbonitrile

4-ethenylbenzonitrile