4-Nitroisophthalonitrile

Base Information Edit

Chemical Name:4-Nitroisophthalonitrile
CAS No.:52054-41-8
Molecular Formula:C8H3N3O2
Molecular Weight:173.131
Hs Code.:
DSSTox Substance ID:DTXSID70500603
Nikkaji Number:J1.767.021B
Wikidata:Q82352333
Mol file:52054-41-8.mol

Synonyms:4-Nitroisophthalonitrile;52054-41-8;2,4-dicyanonitrobenzene;4-Nitrobenzene-1,3-dicarbonitrile;1,3-Benzenedicarbonitrile, 4-nitro-;SCHEMBL4385438;DTXSID70500603;WINJSPZPARNPQQ-UHFFFAOYSA-N;AMY42381;A51218;A903229;4-Nitro-1,3-benzenedicarbonitrile

Suppliers and Price of 4-Nitroisophthalonitrile

Supply Marketing:Edit

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

Total 2 raw suppliers

Chemical Property of 4-Nitroisophthalonitrile Edit

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:173.022526347
Heavy Atom Count:13
Complexity:302

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)C#N)[N+](=O)[O-]

Technology Process of 4-Nitroisophthalonitrile

There total 5 articles about 4-Nitroisophthalonitrile 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: 56.0%

: 4315-09-7
4-nitroisophthalic acid

: 52054-41-8
4-nitroisophthalonitrile

Guidance literature:: With phosphorus pentachloride; toluene-4-sulfonamide; at 200 - 205 ℃; for 0.5h;
DOI:10.1016/0040-4020(89)80129-2

Reference yield:

: 89-87-2,156617-89-9,37551-97-6
2,4-dimethylnitrobenzene

: 52054-41-8
4-nitroisophthalonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent / KMnO₄ / H₂O / 2 h / Heating

2: 56 percent / p-toluenesulfonamide, PCl₅ / 0.5 h / 200 - 205 °C

With potassium permanganate; phosphorus pentachloride; toluene-4-sulfonamide; In water;
DOI:10.1016/0040-4020(89)80129-2

Reference yield:

: 108-38-3,104809-90-7
m-xylene

: 52054-41-8
4-nitroisophthalonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 52 percent / 70percent HNO₃, cc. H₂SO₄ / 30 °C

2: 55 percent / KMnO₄ / H₂O / 2 h / Heating

3: 56 percent / p-toluenesulfonamide, PCl₅ / 0.5 h / 200 - 205 °C

With potassium permanganate; phosphorus pentachloride; sulfuric acid; nitric acid; toluene-4-sulfonamide; In water;
DOI:10.1016/0040-4020(89)80129-2