4-((4-Nitrophenyl)sulfonyl)aniline

Base Information

• Chemical Name: 4-((4-Nitrophenyl)sulfonyl)aniline
• CAS No.: 1948-92-1
• Molecular Formula: C12H10 N2 O4 S
• Molecular Weight: 278.288
• Hs Code.: 2921420090
• European Community (EC) Number: 606-323-9
• NSC Number: 27185
• UNII: GE77AYQ4NX
• DSSTox Substance ID: DTXSID4075162
• Nikkaji Number: J31.793D
• Wikidata: Q82003185
• ChEMBL ID: CHEMBL342457
• Mol file: 1948-92-1.mol

Synonyms:4-nitro-4'-aminodiphenyl sulfone;NADS

Chemical Property of 4-((4-Nitrophenyl)sulfonyl)aniline

Chemical Property:

• Vapor Pressure: 3.56E-11mmHg at 25°C
• Melting Point: 155-157°C
• Boiling Point: 526.5°Cat760mmHg
• Flash Point: 272.2°C
• PSA: 114.36000
• Density: 1.449g/cm³
• LogP: 4.19500
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 278.03612798
• Heavy Atom Count: 19
• Complexity: 410

Purity/Quality:

99.9% ^*data from raw suppliers

4-Nitro-4’-aminodiphenylSulfone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Uses: An intermediate in the synthesis of the Daspone metabolite

Technology Process of 4-((4-Nitrophenyl)sulfonyl)aniline

There total 12 articles about 4-((4-Nitrophenyl)sulfonyl)aniline 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: 79.0%

N-[4-(4-Nitro-benzenesulfonyl)-phenyl]-acetamide (1775-37-7) → 4-(4-nitrophenylsulfonyl)aniline (1948-92-1)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 4h; Heating;

DOI:10.1039/P29850001527

Reference yield: 10.0%

N-nosylaniline (1576-44-9) → 4-(4-nitrophenylsulfonyl)aniline (1948-92-1) + 2-[(4-nitrophenyl)sulfonyl]-aniline

Guidance literature:

With trifluorormethanesulfonic acid; at 108 ℃; for 1h;

DOI:10.1080/00397911.2016.1178776

Reference yield:

4-nitrophenyl sulfone (1156-50-9) → 4-(4-nitrophenylsulfonyl)aniline (1948-92-1)

Guidance literature:

With ammonium sulfide; ethanol;

upstream raw materials:

4-nitrophenyl sulfone

N-[4-(4-Nitro-benzenesulfonyl)-phenyl]-acetamide

sodium 4-acetamidobenzenesulfinate

4-chlorobenzonitrile

Downstream raw materials:

N-furfurylidene-4-(4-nitro-benzenesulfonyl)-aniline

N-[4-(4-nitro-benzenesulfonyl)-phenyl]-maleamic acid

4-nitro-4'-formamidodiphenylsulfone

N-{2-[4-(4-nitro-benzenesulfonyl)-anilino]-ethyl}-phthalimide