Benzonitrile, 2-(1H-tetrazol-5-yl)-

Base Information

Chemical Name:Benzonitrile, 2-(1H-tetrazol-5-yl)-
CAS No.:71515-74-7
Molecular Formula:C8H5N5
Molecular Weight:171.161
Hs Code.:
DSSTox Substance ID:DTXSID20470701
Nikkaji Number:J466.643G
Wikidata:Q82298855

Synonyms:Benzonitrile, 2-(1H-tetrazol-5-yl)-;71515-74-7;2-(1h-tetrazol-5-yl)benzonitrile;2-(2H-tetrazol-5-yl)benzonitrile;5-(2-cyanophenyl)tetrazole;SCHEMBL7212332;SCHEMBL11502690;DTXSID20470701;Benzonitrile, 2-(2H-tetrazol-5-yl)-;CS-0433172;E85463

Suppliers and Price of Benzonitrile, 2-(1H-tetrazol-5-yl)-

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 4 raw suppliers

Chemical Property of Benzonitrile, 2-(1H-tetrazol-5-yl)-

Chemical Property:

Melting Point:208-210 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Boiling Point:438.8±47.0 °C(Predicted)
PSA：78.25000
Density:1.44±0.1 g/cm3(Predicted)
LogP:0.73838
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:171.05449518
Heavy Atom Count:13
Complexity:220

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C#N)C2=NNN=N2

Technology Process of Benzonitrile, 2-(1H-tetrazol-5-yl)-

There total 4 articles about Benzonitrile, 2-(1H-tetrazol-5-yl)- 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: 99.0%

: 91-15-6
phthalonitrile

: 71515-74-7
5-(2-cyanophenyl)tetrazole

Guidance literature:: With sodium azide; In water; at 100 ℃; for 0.666667h; Reagent/catalyst;
DOI:10.1002/aoc.4649

Reference yield: 86.0%

: potassium cyanide

: 138642-62-3
2-Cyanophenylboronic acid

: 71515-74-7
5-(2-cyanophenyl)tetrazole

Guidance literature:: With sodium azide; potassium carbonate; In ethanol; water; for 3h; Catalytic behavior; Reflux; Inert atmosphere; Green chemistry;
DOI:10.1016/j.mcat.2021.111489