1-Nitro-2-(phenylsulfonyl)benzene

Base Information

• Chemical Name: 1-Nitro-2-(phenylsulfonyl)benzene
• CAS No.: 31515-43-2
• Deprecated CAS: 144113-81-5
• Molecular Formula: C12H9NO4S
• Molecular Weight: 263.274
• Hs Code.: 29309090
• European Community (EC) Number: 250-672-6
• NSC Number: 624231
• UNII: DYJ48D3NKT
• DSSTox Substance ID: DTXSID80932234
• Nikkaji Number: J278.131J
• ChEMBL ID: CHEMBL291558
• Mol file: 31515-43-2.mol

Synonyms:2'-nitrophenylphenylsulfone;NSC 624231;NSC-624231

Chemical Property of 1-Nitro-2-(phenylsulfonyl)benzene

Chemical Property:

• Melting Point: 145-148 ºC
• Boiling Point: 462.3 ºC at 760 mmHg
• Flash Point: 233.4 ºC
• PSA: 88.34000
• Density: 1.388 g/cm³
• LogP: 4.03160
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 263.02522894
• Heavy Atom Count: 18
• Complexity: 389

Purity/Quality:

97% ^*data from raw suppliers

2-Nitrophenyl Phenyl Sulfone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Nitro-2-(phenylsulfonyl)benzene

There total 21 articles about 1-Nitro-2-(phenylsulfonyl)benzene 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: 92.0%

2-nitrophenyl bromide (577-19-5) + sodium benzenesulfonate (873-55-2) → 1-nitro-2-(phenylsulfonyl)benzene (31515-43-2,144113-81-5)

Guidance literature:

With copper(l) iodide; In dimethyl sulfoxide; for 48h; Heating;

DOI:10.1055/s-2007-990778

Reference yield: 83.0%

ortho-nitrobenzoic acid (552-16-9,104810-18-6) + sodium benzenesulfonate (873-55-2) → 1-nitro-2-(phenylsulfonyl)benzene (31515-43-2,144113-81-5)

Guidance literature:

With 1,10-Phenanthroline; silver carbonate; at 160 ℃; for 18h; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.9b01333

Reference yield: 72.0%

sodium benzenesulfonate (873-55-2) + 2-Chloronitrobenzene (88-73-3) → 1-nitro-2-(phenylsulfonyl)benzene (31515-43-2,144113-81-5)

Guidance literature:

With quinoline; copper(l) chloride; In 1-methyl-pyrrolidin-2-one; at 140 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1055/s-0031-1289541

upstream raw materials:

2-nitrophenyl phenyl sulfide

sodium benzenesulfonate

2-Chloronitrobenzene

Benzenesulfinic acid

Downstream raw materials:

1-nitro-2-(p-tolyloxy)benzene

1-nitro-2-((3-nitrophenyl)sulfonyl)benzene

2-aminophenyl phenyl sulfone

2-nitro-N-phenylaniline