1H-Benzotriazole-1-acetonitrile

Base Information

Chemical Name:1H-Benzotriazole-1-acetonitrile
CAS No.:111198-08-4
Molecular Formula:C8H6N4
Molecular Weight:158.162
Hs Code.:2933990090
European Community (EC) Number:626-614-4
DSSTox Substance ID:DTXSID40354897
Nikkaji Number:J683.594E
Wikidata:Q82133380
Mol file:111198-08-4.mol

Synonyms:1H-Benzotriazole-1-acetonitrile;111198-08-4;2-(1H-benzo[d][1,2,3]triazol-1-yl)acetonitrile;2-(benzotriazol-1-yl)acetonitrile;1H-Benzotriazole-2-acetonitrile;Enamine_005675;Cambridge id 5140846;SCHEMBL285179;Benzotriazol-1-yl-acetonitrile;1H-Benzotriazol-1-ylacetonitrile;DTXSID40354897;DIFOLZGBHRDEFT-UHFFFAOYSA-N;HMS1410B21;MFCD00082568;2-(1h-benzotriazol-1-yl)acetonitrile;AKOS001027433;1H-Benzotriazole-1-acetonitrile, 95%;AB92485;IDI1_007910;s10084;AS-11260;A2202;CS-0204238;FT-0642723;2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile;Z56757683

Suppliers and Price of 1H-Benzotriazole-1-acetonitrile

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

TRC
1H-Benzotriazole-1-acetonitrile
500mg
$ 175.00

Sigma-Aldrich
1H-Benzotriazole-1-acetonitrile 95%
5g
$ 385.00

Sigma-Aldrich
1H-Benzotriazole-1-acetonitrile 95%
1g
$ 114.00

Oakwood
2-(1H-Benzo[d][1,2,3]triazol-1-yl)acetonitrile 98%
1g
$ 85.00

Crysdot
2-(1H-Benzo[d][1,2,3]triazol-1-yl)acetonitrile 97%
10g
$ 397.00

Chemenu
2-(1H-Benzo[d][1,2,3]triazol-1-yl)acetonitrile 97%
10g
$ 371.00

Apolloscientific
1H-Benzotriazole-1-acetonitrile
1g
$ 260.00

American Custom Chemicals Corporation
1H-BENZOTRIAZOLE-1-ACETONITRILE 95.00%
1G
$ 684.12

American Custom Chemicals Corporation
1H-BENZOTRIAZOLE-1-ACETONITRILE 95.00%
5G
$ 1079.35

AK Scientific
1H-Benzotriazole-1-acetonitrile
10g
$ 481.00

Total 33 raw suppliers

Chemical Property of 1H-Benzotriazole-1-acetonitrile

Chemical Property:

Vapor Pressure:1.13E-05mmHg at 25°C
Melting Point:84-89 °C(lit.)
Refractive Index:1.689
Boiling Point:370.1 °C at 760 mmHg
Flash Point:177.6 °C
PSA：54.50000
Density:1.3 g/cm³
LogP:0.95488
Storage Temp.:2-8°C
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.059246208
Heavy Atom Count:12
Complexity:206

Purity/Quality:

97% ^*data from raw suppliers

1H-Benzotriazole-1-acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=NN2CC#N
General Description 1H-Benzotriazole-1-acetonitrile is a versatile intermediate used in the synthesis of various heterocyclic compounds, including coordination polymers, anticancer agents, antimicrobial derivatives, and fluorescent donor-acceptor molecules. It serves as a key precursor in reactions involving tetrazole formation, Knoevenagel condensation, and Michael addition-cyclization sequences, demonstrating its utility in medicinal chemistry, materials science, and organic synthesis. Its derivatives exhibit notable biological activities, such as anticancer and antimicrobial effects, as well as optical properties suitable for cellular imaging applications.

Technology Process of 1H-Benzotriazole-1-acetonitrile

There total 7 articles about 1H-Benzotriazole-1-acetonitrile 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: 94.0%