3,5-Cyclohexadiene-1,2-dione, 4-nitro-

Base Information

Chemical Name:3,5-Cyclohexadiene-1,2-dione, 4-nitro-
CAS No.:91458-98-9
Molecular Formula:C6H3NO4
Molecular Weight:153.094
Hs Code.:
DSSTox Substance ID:DTXSID20472745
Nikkaji Number:J1.164.023K
Wikidata:Q82301856

Synonyms:91458-98-9;3,5-Cyclohexadiene-1,2-dione, 4-nitro-;4-nitro-o-benzoquinone;SCHEMBL13313383;DTXSID20472745

Suppliers and Price of 3,5-Cyclohexadiene-1,2-dione, 4-nitro-

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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Total 0 raw suppliers

Chemical Property of 3,5-Cyclohexadiene-1,2-dione, 4-nitro-

Chemical Property:

Boiling Point:244.2±33.0 °C(Predicted)
PSA：79.96000
Density:1.49±0.1 g/cm3(Predicted)
LogP:0.37820
XLogP3:-0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:153.00620758
Heavy Atom Count:11
Complexity:294

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3,5-Cyclohexadiene-1,2-dione, 4-nitro-

There total 12 articles about 3,5-Cyclohexadiene-1,2-dione, 4-nitro- 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: 30.0%

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 91458-98-9
4-nitrocyclohexa-3,5-diene-1,2-dione

Guidance literature:: With tert.-butylhydroperoxide; In decane; acetonitrile; at 70 ℃; for 8.5h; regioselective reaction; Catalytic behavior;
DOI:10.1007/s10562-012-0852-y

Reference yield:

: [Cu(5,6-dimethyl-2-(2-pyridyl)benzimidazole)(4-nitrocatecholate)]

: 91458-98-9
4-nitrocyclohexa-3,5-diene-1,2-dione

Guidance literature:: With tert.-butylhydroperoxide; In N,N-dimethyl-formamide; at 24.84 ℃; for 0.0166667h; Kinetics; Inert atmosphere;
DOI:10.1016/j.poly.2015.09.026

Reference yield:

: [Cu(2-(2-pyridyl)benzimidazole)(4-nitrocatecholate)]

: 91458-98-9
4-nitrocyclohexa-3,5-diene-1,2-dione

Guidance literature:: With tert.-butylhydroperoxide; In N,N-dimethyl-formamide; at 24.84 ℃; for 0.0166667h; Kinetics; Inert atmosphere;
DOI:10.1016/j.poly.2015.09.026