3-(2H-1,2,3-Triazol-4-yl)benzonitrile

Base Information

Chemical Name:3-(2H-1,2,3-Triazol-4-yl)benzonitrile
CAS No.:550364-01-7
Molecular Formula:C9H6N4
Molecular Weight:170.173
Hs Code.:2933990090
ChEMBL ID:CHEMBL2147990
DSSTox Substance ID:DTXSID90460811
Nikkaji Number:J3.574.418E
Wikidata:Q82284964
Mol file:550364-01-7.mol

Synonyms:3-(2H-1,2,3-Triazol-4-yl)benzonitrile;550364-01-7;3-(2H-triazol-4-yl)benzonitrile;CHEMBL2147990;3-(1H-1,2,3-triazol-4-yl)benzonitrile;Benzonitrile, 3-(1H-1,2,3-triazol-4-yl)-;SCHEMBL5206170;DTXSID90460811;WTEOJKCYXGSBQC-UHFFFAOYSA-N;BDBM50391365;MFCD08275073;AKOS016010298;AKOS024015906;DS-2806;FS-3754;CS-0045389;3-(2H-1 pound not2 pound not3-Triazol-4-yl)benzonitrile;3-(1H-1,2,3-TRIAZOL-4-YL)BENZONITRILEAND3-(2H-1,2,3-TRIAZOL-4-YL)BENZONITRILE

Suppliers and Price of 3-(2H-1,2,3-Triazol-4-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

Matrix Scientific
3-(2H-1,2,3-Triazol-4-yl)benzonitrile >95%
1g
$ 1224.00

Chemenu
3-(2H-1,2,3-triazol-4-yl)benzonitrile 95%
1g
$ 324.00

American Custom Chemicals Corporation
3-(1H-1,2,3-TRIAZOL-4-YL)BENZONITRILE-3-(2H-1,2,3-TRIAZOL-4-YL)BENZONITRILE 95.00%
5MG
$ 496.07

Alichem
3-(2H-1,2,3-Triazol-4-yl)benzonitrile
1g
$ 612.85

Alichem
3-(2H-1,2,3-Triazol-4-yl)benzonitrile
250mg
$ 230.86

AK Scientific
3-(1H-(1,2,3)Triazol-4-yl)-benzonitrile
250mg
$ 235.00

Total 20 raw suppliers

Chemical Property of 3-(2H-1,2,3-Triazol-4-yl)benzonitrile

Chemical Property:

PSA：130.72000
LogP:2.68676
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:170.059246208
Heavy Atom Count:13
Complexity:219

Purity/Quality:

97% ^*data from raw suppliers

3-(2H-1,2,3-Triazol-4-yl)benzonitrile >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(2H-1,2,3-Triazol-4-yl)benzonitrile

There total 9 articles about 3-(2H-1,2,3-Triazol-4-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: 88.0%

: 62248-92-4
3-cyano-β-nitrostyrene

: 550364-01-7
3-(1H-1,2,3-triazol-4-yl)benzonitrile

Guidance literature:: With sodium azide; In N,N-dimethyl-formamide; at 50 ℃; Schlenk technique;
DOI:10.1055/s-0035-1560488

Reference yield: 81.0%

: 115665-97-9
3-[(E)-2-nitroethenyl]benzonitrile

: 550364-01-7
3-(1H-1,2,3-triazol-4-yl)benzonitrile

Guidance literature:: 3-[(E)-2-nitroethenyl]benzonitrile; With trimethylsilylazide; In N,N-dimethyl-formamide; at 50 ℃;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm049828c

Reference yield: 72.0%

: 550364-01-7
3-(1H-1,2,3-triazol-4-yl)benzonitrile

Guidance literature:: With pyridine; sodium azide; trifluorormethanesulfonic acid; at 60 ℃; for 0.333333h; Microwave irradiation; Sealed tube;