4-(3-Ethynylphenoxy)-1,2-dinitrobenzene

Base Information

• Chemical Name: 4-(3-Ethynylphenoxy)-1,2-dinitrobenzene
• CAS No.: 58297-28-2
• Molecular Formula: C14H8N2O5
• Molecular Weight: 284.228
• DSSTox Substance ID: DTXSID20605930
• Wikidata: Q82504392
• Mol file: 58297-28-2.mol

Synonyms:4-(3-Ethynylphenoxy)-1,2-dinitrobenzene;58297-28-2;SCHEMBL11595400;DTXSID20605930;WTZTVRNQQTVNRE-UHFFFAOYSA-N;4-(3-Ethynylphenoxy)-o-dinitrobenzene

Chemical Property of 4-(3-Ethynylphenoxy)-1,2-dinitrobenzene

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 284.04332136
• Heavy Atom Count: 21
• Complexity: 447

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC(=CC=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 4-(3-Ethynylphenoxy)-1,2-dinitrobenzene

There total 2 articles about 4-(3-Ethynylphenoxy)-1,2-dinitrobenzene 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:

4-fluoro-1,2-dinitro-benzene (364-53-4) + m-hydroxyethynyl benzene (104170-24-3) → 4-(3-ethynylphenoxy)-o-dinitrobenzene (58297-28-2)

Guidance literature:

With sulfuric acid; In pyridine; mineral oil;

Reference yield:

→ 4-(3-ethynylphenoxy)-o-dinitrobenzene (58297-28-2)

Guidance literature:

Reference yield:

4-(3-ethynylphenoxy)-o-dinitrobenzene (58297-28-2) → 4-(3-ethynylphenoxy)-1,2-phenylenediamine (58297-25-9)

Guidance literature:

In tetrahydrofuran; ammonium hydroxide;

upstream raw materials:

4-fluoro-1,2-dinitro-benzene

m-hydroxyethynyl benzene

Downstream raw materials:

4-(3-ethynylphenoxy)-1,2-phenylenediamine