4-(1H-1,2,4-Triazol-1-yl)benzonitrile

Base Information

Chemical Name:4-(1H-1,2,4-Triazol-1-yl)benzonitrile
CAS No.:25699-89-2
Molecular Formula:C9H6N4
Molecular Weight:170.173
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90437982
Nikkaji Number:J648.461A
Wikidata:Q82253588
Mol file:25699-89-2.mol

Synonyms:4-(1H-1,2,4-Triazol-1-yl)benzonitrile;25699-89-2;4-(1,2,4-triazol-1-yl)benzonitrile;SCHEMBL2270763;DTXSID90437982;GVHXOBQEQQQJEC-UHFFFAOYSA-N;MFCD07368643;AKOS000222273;4-[1,2,4]Triazol-1-yl-benzonitrile;AS-40404;4-(1H-1,2,4-Triazole-1-yl)benzonitrile;CS-0143620;F8887-2126

Suppliers and Price of 4-(1H-1,2,4-Triazol-1-yl)benzonitrile

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

JR MediChem
4-(1H-1,2,4-triazol-1-yl)benzonitrile 96%
5g
$ 480.00

Crysdot
4-(1H-1,2,4-Triazol-1-yl)benzonitrile 95+%
5g
$ 377.00

Chemenu
4-(1H-1,2,4-triazol-1-yl)benzonitrile 95%
5g
$ 356.00

American Custom Chemicals Corporation
4-(1H-1,2,4-TRIAZOL-1-YL)BENZONITRILE 95.00%
5MG
$ 496.73

Alichem
4-(1H-1,2,4-Triazol-1-yl)benzonitrile
5g
$ 696.66

AK Scientific
4-(1H-1,2,4-Triazol-1-yl)benzonitrile
25g
$ 2051.00

Total 5 raw suppliers

Chemical Property of 4-(1H-1,2,4-Triazol-1-yl)benzonitrile

Chemical Property:

Melting Point:167-169 °C
Boiling Point:376.8±44.0 °C(Predicted)
PKA:1.72±0.10(Predicted)
PSA：54.50000
Density:1.23±0.1 g/cm3(Predicted)
LogP:1.13898
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:170.059246208
Heavy Atom Count:13
Complexity:211

Purity/Quality:

99% ^*data from raw suppliers

4-(1H-1,2,4-triazol-1-yl)benzonitrile 96% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)N2C=NC=N2

Technology Process of 4-(1H-1,2,4-Triazol-1-yl)benzonitrile

There total 9 articles about 4-(1H-1,2,4-Triazol-1-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: 97.0%

: 288-88-0
1,2,4-Triazole

: 623-00-7
4-bromobenzenecarbonitrile

: 25699-89-2
4-(1H-1,2,4-triazol-1-yl)benzonitrile

Guidance literature:: With caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 12h; Catalytic behavior;
DOI:10.1016/j.apcata.2015.12.029

Reference yield: 95.0%

: 143426-50-0
[4-(1H-1,2,4-triazol-1-yl)phenyl]methanol

: 25699-89-2
4-(1H-1,2,4-triazol-1-yl)benzonitrile

Guidance literature:: With 2,3'-bipyridine; ammonium hydroxide; copper(l) iodide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; In ethanol; at 20 ℃; for 24h;
DOI:10.1021/ol400459y