1H-Benzimidazole-5,6-dicarbonitrile

Base Information

Chemical Name:1H-Benzimidazole-5,6-dicarbonitrile
CAS No.:267642-46-6
Molecular Formula:C₉H₄N₄
Molecular Weight:168.158
Hs Code.:
DSSTox Substance ID:DTXSID00572479
Wikidata:Q82460841
Mol file:267642-46-6.mol

Synonyms:267642-46-6;1H-BENZIMIDAZOLE-5,6-DICARBONITRILE;1H-Benzimidazole-5,6-dicarbonitrile(9CI);1H-1,3-BENZODIAZOLE-5,6-DICARBONITRILE;1H-BENZO[D]IMIDAZOLE-5,6-DICARBONITRILE;5,6-dicyanobenzimidazole;SCHEMBL252110;DTXSID00572479;EN300-320740

Suppliers and Price of 1H-Benzimidazole-5,6-dicarbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 1H-Benzimidazole-5,6-dicarbonitrile

Chemical Property:

Boiling Point:591.5±35.0 °C(Predicted)
PKA:8.42±0.30(Predicted)
PSA：76.26000
Density:1.44±0.1 g/cm3(Predicted)
LogP:1.30626
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:168.043596145
Heavy Atom Count:13
Complexity:293

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=CC2=C1NC=N2)C#N)C#N

Technology Process of 1H-Benzimidazole-5,6-dicarbonitrile

There total 3 articles about 1H-Benzimidazole-5,6-dicarbonitrile 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: 82.0%

: 64-18-6
formic acid

: 129365-93-1
4,5-diaminophthalonitrile

: 267642-46-6
5,6-dicyanobenzimidazole

Guidance literature:: In water; for 2h; Heating;

Reference yield:

: 79319-38-3
5-amino-5-nitrophthalodinitrile

: 267642-46-6
5,6-dicyanobenzimidazole

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / SnCl₂; conc. HCl / 0.33 h / 70 °C

2: 82 percent / H₂O / 2 h / Heating

With hydrogenchloride; tin(ll) chloride; In water; 1: Reduction / 2: Cyclization;