1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene

Base Information

• Chemical Name: 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene
• CAS No.: 972-48-5
• Molecular Formula: C13H10 N2 O7 S
• Molecular Weight: 338.2927
• NSC Number: 523959
• DSSTox Substance ID: DTXSID10326102
• Nikkaji Number: J586.321J
• Wikidata: Q82086832

Synonyms:972-48-5;NSC 523959;NSC523959;DTXSID10326102;2,4-Dinitro-4'-methoxydiphenylsulfone;NSC-523959;2,4-Dinitrophenyl(4-methoxyphenyl) sulfone;2,4-Dinitrophenyl 4-methoxyphenyl sulfone #;1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene

Chemical Property of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene

Chemical Property:

• Vapor Pressure: 2.05E-11mmHg at 25°C
• Boiling Point: 545.8°Cat760mmHg
• Flash Point: 283.9°C
• Density: 1.5g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 338.02087184
• Heavy Atom Count: 23
• Complexity: 540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1-(4-Methoxybenzene-1-sulfonyl)-2,4-dinitrobenzene

There total 2 articles about 1-(4-Methoxybenzene-1-sulfonyl)-2,4-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: 72.0%

1-[(4-methoxyphenyl)thio]-2,4-dinitrobenzene (1871-44-9) → 1-(2,4-dinitro-benzenesulfonyl)-4-methoxy-benzene (972-48-5)

Guidance literature:

With chromium(VI) oxide; In water; acetic acid; for 4.5h; Heating;

Reference yield:

→ 1-(2,4-dinitro-benzenesulfonyl)-4-methoxy-benzene (972-48-5)

Guidance literature:

/BRN= 3422202/;

Reference yield:

1-(2,4-dinitro-benzenesulfonyl)-4-methoxy-benzene (972-48-5) → potassium 2,4-dinitrophenolate (14314-69-3) + potassium 4-methoxybenzenesulfinate

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; water; at 25 ℃; Rate constant;

upstream raw materials:

1-[(4-methoxyphenyl)thio]-2,4-dinitrobenzene

Downstream raw materials:

potassium 2,4-dinitrophenolate

4-methoxybenzenesulfinic acid

4-(2,4-dinitrophenyl)morpholine

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