Benzo[c][1,2,5]thiadiazole-4-carbonitrile

Base Information

Chemical Name:Benzo[c][1,2,5]thiadiazole-4-carbonitrile
CAS No.:54554-45-9
Molecular Formula:C₇H₃N₃S
Molecular Weight:161.187
Hs Code.:2934999090
DSSTox Substance ID:DTXSID90480014
Wikidata:Q82314476
Mol file:54554-45-9.mol

Synonyms:Benzo[c][1,2,5]thiadiazole-4-carbonitrile;54554-45-9;2,1,3-benzothiadiazole-4-carbonitrile;AGN-PC-0NI1SE;SCHEMBL1172605;DTXSID90480014

Suppliers and Price of Benzo[c][1,2,5]thiadiazole-4-carbonitrile

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

Alichem
Benzo[c][1,2,5]thiadiazole-4-carbonitrile
1g
$ 785.40

Chemenu
benzo[c][1,2,5]thiadiazole-4-carbonitrile 95%
1g
$ 830.00

Crysdot
Benzo[c][1,2,5]thiadiazole-4-carbonitrile 95+%
1g
$ 880.00

Total 3 raw suppliers

Chemical Property of Benzo[c][1,2,5]thiadiazole-4-carbonitrile

Chemical Property:

Melting Point:124-125 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
Boiling Point:301.9±15.0 °C(Predicted)
PKA:-1.77±0.45(Predicted)
PSA：77.81000
Density:1.46±0.1 g/cm3(Predicted)
LogP:1.56298
Storage Temp.:2-8°C
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:161.00476828
Heavy Atom Count:11
Complexity:197

Purity/Quality:

98% ^*data from raw suppliers

Benzo[c][1,2,5]thiadiazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=NSN=C2C(=C1)C#N

Technology Process of Benzo[c][1,2,5]thiadiazole-4-carbonitrile

There total 2 articles about Benzo[c][1,2,5]thiadiazole-4-carbonitrile 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:

: 767-64-6
4-Amino-2,1,3-benzothiadiazole

: 143-33-9,25596-52-5
sodium cyanide

: 54554-45-9
4-cyano-benzo{2,1,3}thiadiazole

Guidance literature:: Multistep reaction; (i) NaNO₂, aq. HCl, (ii) /BRN= 3587243/, aq. CuCN;
DOI:10.1002/jhet.5570110521

Reference yield:

: 54554-45-9
4-cyano-benzo{2,1,3}thiadiazole

Guidance literature:: Sandmeyer-Rk.;
DOI:10.1021/jf60199a061

Reference yield:

: 54554-45-9
4-cyano-benzo{2,1,3}thiadiazole

: 2816-43-5
triphenylgermane

: C₆H₃CNN₂SGe(C₆H₅)3

: C₆H₃CNN₂SGe(C₆H₅)3

Guidance literature:: In neat (no solvent); Irradiation (UV/VIS); irradiation of the melt of starting materials at temp. between 100 and 200°C; ratio of isomers: C:D 95:5 (140°C);
DOI:10.1016/0022-328X(91)86190-2