3-(5-Amino-4H-1,2,4-triazol-3-YL)benzonitrile

Base Information

Chemical Name:3-(5-Amino-4H-1,2,4-triazol-3-YL)benzonitrile
CAS No.:1016517-38-6
Molecular Formula:C₉H₇N₅
Molecular Weight:185.188
Hs Code.:
European Community (EC) Number:818-365-7

Synonyms:3-(5-AMINO-4H-1,2,4-TRIAZOL-3-YL)BENZONITRILE;1016517-38-6;3-(3-amino-1H-1,2,4-triazol-5-yl)benzonitrile;3-(5-amino-1H-1,2,4-triazol-3-yl)benzonitrile;AKOS000151983;EN300-86484;G60149;Z285200500

Suppliers and Price of 3-(5-Amino-4H-1,2,4-triazol-3-YL)benzonitrile

Supply Marketing:

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

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Chemical Property of 3-(5-Amino-4H-1,2,4-triazol-3-YL)benzonitrile

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:185.07014524
Heavy Atom Count:14
Complexity:245

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C2=NC(=NN2)N)C#N

Technology Process of 3-(5-Amino-4H-1,2,4-triazol-3-YL)benzonitrile

There total 3 articles about 3-(5-Amino-4H-1,2,4-triazol-3-YL)benzonitrile 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: 58.0%

: C₉H₉N₅O

: 1016517-38-6
3-(5-amino-1H-1,2,4-triazol-3-yl)benzonitrile

Guidance literature:: In water; at 25 - 100 ℃; for 0.2h; Microwave irradiation; Inert atmosphere;
DOI:10.1016/j.bioorg.2018.06.037

Reference yield:

: 1711-11-1
3-cyanobenzoyl chloride

: 1016517-38-6
3-(5-amino-1H-1,2,4-triazol-3-yl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / 0.33 h / 180 °C

2: water / 180 °C / Microwave irradiation

With sodium hydroxide; In water;
DOI:10.1016/j.ejmech.2013.06.051

Reference yield:

: 19731-01-2
3-cyanobenzohydrazide

: 1016517-38-6
3-(5-amino-1H-1,2,4-triazol-3-yl)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / 72 h / 20 °C

2: water / 180 °C / Microwave irradiation

With sodium hydroxide; In water;
DOI:10.1016/j.ejmech.2013.06.051