1H-benzimidazole-2-carbonitrile

Base Information

• Chemical Name: 1H-benzimidazole-2-carbonitrile
• CAS No.: 6868-37-7
• Molecular Formula: C8H5N3
• Molecular Weight: 143.148
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70357114
• Nikkaji Number: J783.267B
• Wikidata: Q72445223
• ChEMBL ID: CHEMBL4860178
• Mol file: 6868-37-7.mol

Synonyms:1H-benzimidazole-2-carbonitrile;6868-37-7;1H-Benzo[d]imidazole-2-carbonitrile;2-cyanobenzimidazole;2-BENZIMIDAZOLCARBONITRILE;1H-1,3-benzodiazole-2-carbonitrile;SCHEMBL244929;CHEMBL4860178;DTXSID70357114;VEKMJKMSTPFHQD-UHFFFAOYSA-N;HMS1682P06;MFCD00493627;AKOS000599636;AS-42121;CS-0373337;FT-0694361;EN300-6414535;A915563

Chemical Property of 1H-benzimidazole-2-carbonitrile

Chemical Property:

• Vapor Pressure: 5.55E-05mmHg at 25°C
• Refractive Index: 1.684
• Boiling Point: 347 °C at 760 mmHg
• Flash Point: 121.1 °C
• PSA: 52.47000
• Density: 1.33 g/cm³
• LogP: 1.43458
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.048347172
• Heavy Atom Count: 11
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

1H-benzimidazole-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C#N

Technology Process of 1H-benzimidazole-2-carbonitrile

There total 10 articles about 1H-benzimidazole-2-carbonitrile 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: 88.0%

2-trichloromethyl-1H-benzoimidazole (3584-65-4) → 1H-benzoimidazole-2-carbonitrile (6868-37-7)

Guidance literature:

With ammonia; at -78 - 20 ℃;

Reference yield: 80.0%

N-[4-Chloro-[1,2,3]dithiazol-(5Z)-ylidene]-benzene-1,2-diamine → 1H-benzoimidazole-2-carbonitrile (6868-37-7)

Guidance literature:

In xylene; at 139 ℃; for 2h;

DOI:10.1016/S0040-4020(98)00521-3

Reference yield: 73.0%

benzimidazole-2-carbaldehyde oxime → 1H-benzoimidazole-2-carbonitrile (6868-37-7)

Guidance literature:

With 4-nitro-1-((trifluoromethyl)sulfonyl)-1H-imidazole; triethylamine; In acetonitrile; at 20 ℃; for 0.166667h; Inert atmosphere; Sealed tube;

DOI:10.1039/d0cc00188k

upstream raw materials:

2-cyano-benzimidazole-N-oxide

2-trichloromethyl-1H-benzoimidazole

1,2-diamino-benzene

Benzimidazol-aldehyd-(2)-oxim

Downstream raw materials:

benzimidazole-2-carboxamide oxime

C₈H₈N₄O

2-(1H-tetrazol-5-yl)-1H-benzo[d]imidazole

2-Aminomethylbenzimidazole