Benzonitrile, 2-(1H-benzotriazol-1-ylcarbonyl)-

Base Information

Chemical Name:Benzonitrile, 2-(1H-benzotriazol-1-ylcarbonyl)-
CAS No.:253668-47-2
Molecular Formula:C₁₄H₈N₄O
Molecular Weight:248.244
Hs Code.:
DSSTox Substance ID:DTXSID001244849
Nikkaji Number:J1.191.792E

Synonyms:DTXSID001244849;253668-47-2;Benzonitrile, 2-(1H-benzotriazol-1-ylcarbonyl)-

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

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Chemical Property of Benzonitrile, 2-(1H-benzotriazol-1-ylcarbonyl)-

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:248.06981089
Heavy Atom Count:19
Complexity:402

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C#N)C(=O)N2C3=CC=CC=C3N=N2

Technology Process of Benzonitrile, 2-(1H-benzotriazol-1-ylcarbonyl)-

There total 2 articles about Benzonitrile, 2-(1H-benzotriazol-1-ylcarbonyl)- 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%

: 95-14-7,27556-51-0
1,2,3-Benzotriazole

: 27611-63-8
2-Cyanobenzoyl chloride

: 253668-47-2
2-(1H-benzo[d][1,2,3]triazole-1-carbonyl)benzonitrile

Guidance literature:: With pyridine; In dichloromethane; for 5h; Heating;
DOI:10.1071/CH99037

Reference yield: 60.0%

: 95-14-7,27556-51-0
1,2,3-Benzotriazole

: 3839-22-3
2-cyanobenzoic acid

: 253668-47-2
2-(1H-benzo[d][1,2,3]triazole-1-carbonyl)benzonitrile

Guidance literature:: 2-cyanobenzoic acid; With trichloroisocyanuric acid; triphenylphosphine; In dichloromethane; at 20 ℃; for 0.5h;

1,2,3-Benzotriazole; In dichloromethane; at 20 ℃;
DOI:10.1055/s-0037-1611724