5-Oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carbonitrile

Base Information

Chemical Name:5-Oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carbonitrile
CAS No.:125520-63-0
Molecular Formula:C9H5N3O2
Molecular Weight:187.158
Hs Code.:
DSSTox Substance ID:DTXSID90416010
Nikkaji Number:J632.769I
Wikidata:Q82225124
ChEMBL ID:CHEMBL500095
Mol file:125520-63-0.mol

Synonyms:CHEMBL500095;125520-63-0;cyano(phenyl)furoxane;5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carbonitrile;DTXSID90416010;3-Phenyl-4-cyanofurazan 2-oxide;BDBM50324355;5-Oxy-4-phenyl-furazan-3-carbonitrile;NCGC00167930-01;4-cyano-3-phenyl-1,2,5-oxadiazole 2-oxide;InChI=1/C9H5N3O2/c10-6-8-9(12(13)14-11-8)7-4-2-1-3-5-7/h1-5

Suppliers and Price of 5-Oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-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
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price

Total 1 raw suppliers

Chemical Property of 5-Oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carbonitrile

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:187.038176411
Heavy Atom Count:14
Complexity:244

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=[N+](ON=C2C#N)[O-]

Technology Process of 5-Oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carbonitrile

There total 8 articles about 5-Oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-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: 100.0%

: 773837-37-9
sodium cyanide

: 49558-03-4
4-nitro-3-phenylfuroxan

: 125520-63-0
3-phenyl-4-cyano-furoxan

Guidance literature:: sodium cyanide; With tetrabutylammomium bromide; In tetrahydrofuran; at 0 ℃; for 0.166667h; Inert atmosphere; Schlenk technique;

4-nitro-3-phenylfuroxan; In tetrahydrofuran; at 0 ℃; for 3h; Inert atmosphere; Schlenk technique;
DOI:10.1016/j.tetlet.2017.07.015