Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-

Base Information

Chemical Name:Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-
CAS No.:104940-93-4
Molecular Formula:C₁₂H₈N₄O
Molecular Weight:224.222
Hs Code.:
DSSTox Substance ID:DTXSID60146852
Wikidata:Q83011747
ChEMBL ID:CHEMBL288227
Mol file:104940-93-4.mol

Synonyms:104940-93-4;Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-;Benzonitrile, 4-[1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl]-;4-[2-(1,2,4-triazol-1-yl)prop-2-enoyl]benzonitrile;CHEMBL288227;DTXSID60146852

Suppliers and Price of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-

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 0 raw suppliers

Chemical Property of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-

Chemical Property:

Vapor Pressure:2.72E-09mmHg at 25°C
Boiling Point:477.8°C at 760 mmHg
Flash Point:242.7°C
Density:1.23g/cm³
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:224.06981089
Heavy Atom Count:17
Complexity:362

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C(C(=O)C1=CC=C(C=C1)C#N)N2C=NC=N2

Technology Process of Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)-

There total 3 articles about Benzonitrile, 4-(1-oxo-2-(1H-1,2,4-triazol-1-yl)-2-propenyl)- 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:

: 1443-80-7
4-cyanophenyl methyl ketone

: 104940-93-4
4-(2-[1,2,4]Triazol-1-yl-acryloyl)-benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: Br₂ / CHCl₃ / 0.25 h / Ambient temperature

2: NaH / tetrahydrofuran / 0.5 h / Ambient temperature

3: acetic anhydride / 0.25 h / 40 °C

With bromine; acetic anhydride; sodium hydride; In tetrahydrofuran; chloroform;
DOI:10.1021/jm00391a037

Reference yield:

: 20099-89-2
4-Cyanophenacyl bromide

: 104940-93-4
4-(2-[1,2,4]Triazol-1-yl-acryloyl)-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: NaH / tetrahydrofuran / 0.5 h / Ambient temperature

2: acetic anhydride / 0.25 h / 40 °C

With acetic anhydride; sodium hydride; In tetrahydrofuran;
DOI:10.1021/jm00391a037