Benzene, 1,3-dinitro-2-(phenylethynyl)-

Base Information

Chemical Name:Benzene, 1,3-dinitro-2-(phenylethynyl)-
CAS No.:98751-34-9
Molecular Formula:C14H8N2O4
Molecular Weight:268.229
Hs Code.:
DSSTox Substance ID:DTXSID40476048
Wikidata:Q82306979

Synonyms:Benzene, 1,3-dinitro-2-(phenylethynyl)-;98751-34-9;DTXSID40476048

Suppliers and Price of Benzene, 1,3-dinitro-2-(phenylethynyl)-

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 Benzene, 1,3-dinitro-2-(phenylethynyl)-

Chemical Property:

Boiling Point:443.6±35.0 °C(Predicted)
PSA：91.64000
Density:1.41±0.1 g/cm3(Predicted)
LogP:3.94920
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:268.04840674
Heavy Atom Count:20
Complexity:412

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Benzene, 1,3-dinitro-2-(phenylethynyl)-

There total 4 articles about Benzene, 1,3-dinitro-2-(phenylethynyl)- 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: 90.0%

: 99-65-0
meta-dinitrobenzene

: 932-88-7
1-iodo-2-phenylethyne

: 886-66-8
1,4-diphenyl-1,3-butadiyne

: 98751-34-9
2-(2-phenylethenyl)-1,3-dinitrobenzene

Guidance literature:: With pyridine; potassium tert-butylate; copper(l) chloride; In 1,2-dimethoxyethane; Heating;

Reference yield: 60.0%

: 606-21-3
1-chloro-2,6-dinitrobenzene

: 536-74-3
phenylacetylene

: 98751-34-9
2-(2-phenylethenyl)-1,3-dinitrobenzene

Guidance literature:: With copper(l) iodide; tri-tert-butyl phosphine; tetra-(n-butyl)ammonium iodide; bis(benzonitrile)palladium(II) dichloride; In triethylamine; N,N-dimethyl-formamide; at 80 ℃; for 1h;
DOI:10.1016/S0040-4039(02)01851-8

Reference yield: 56.0%

: 99-65-0
meta-dinitrobenzene

: 536-74-3
phenylacetylene

: 6775-17-3
2,4-dinitro-1-(2-phenylethynyl)acetylene

: 98751-34-9
2-(2-phenylethenyl)-1,3-dinitrobenzene

Guidance literature:: phenylacetylene; With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; In tetrahydrofuran; hexane; at -70 ℃; for 0.55h; Inert atmosphere;

meta-dinitrobenzene; In tetrahydrofuran; hexane; at -70 ℃; for 0.166667h; Inert atmosphere;

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; hexane; at -70 - 20 ℃; for 1.33333h; Inert atmosphere;
DOI:10.1039/c6cc07475h