1-Nitro-4-(phenylsulfonyl)benzene

Base Information

• Chemical Name: 1-Nitro-4-(phenylsulfonyl)benzene
• CAS No.: 1146-39-0
• Molecular Formula: C12H9 N O4 S
• Molecular Weight: 263.274
• Hs Code.: 2904909090
• European Community (EC) Number: 634-556-6
• NSC Number: 87340
• DSSTox Substance ID: DTXSID60150792
• Nikkaji Number: J257.961H
• Wikidata: Q83016993
• Mol file: 1146-39-0.mol

Synonyms:1-Nitro-4-(phenylsulfonyl)benzene;1146-39-0;4-nitrodiphenyl sulfone;1-(benzenesulfonyl)-4-nitrobenzene;Benzene, 1-nitro-4-(phenylsulfonyl)-;4-Nitrodiphenylsulfone;4-Nitrophenyl phenyl sulfone;p-Nitrophenyl phenyl sulfone;SCHEMBL3895943;?4-NITRODIPHENYL SULFONE;DTXSID60150792;OECHJYYZMSUILG-UHFFFAOYSA-N;BAA14639;NSC87340;1-(benzenesulfonyl)-4-nitro-benzene;MFCD00043616;NSC 87340;NSC-87340;STK753333;1-Nitro-4-(phenylsulfonyl)benzene #;AKOS001703348;AS-62936;CS-0321291;FT-0619231;SR-01000513195;SR-01000513195-1

Chemical Property of 1-Nitro-4-(phenylsulfonyl)benzene

Chemical Property:

• Vapor Pressure: 2.93E-08mmHg at 25°C
• Melting Point: 141-142oC
• Boiling Point: 461.5°C at 760 mmHg
• Flash Point: 232.9°C
• PSA: 88.34000
• Density: 1.388g/cm³
• LogP: 4.03160
• Storage Temp.: 2-8°C
• 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: 381

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Nitro-4-(phenylsulfonyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

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=C(C=C2)[N+](=O)[O-]

Technology Process of 1-Nitro-4-(phenylsulfonyl)benzene

There total 34 articles about 1-Nitro-4-(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: 98.3%

4-nitrophenyl phenyl sulfide (952-97-6) → 4-nitrophenyl phenyl sulfone (1146-39-0)

Guidance literature:

With dihydrogen peroxide; In water; acetic acid; at 60 - 80 ℃; for 5h;

DOI:10.1002/hlca.19830660407

Reference yield: 97.0%

1-(benzenesulfinyl)-4-nitrobenzene (955-45-3) → 4-nitrophenyl phenyl sulfone (1146-39-0)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 60 ℃; for 5h;

DOI:10.1021/jo00282a025

Reference yield: 96.0%

sodium 4-nitrobenzenesulfinate (15959-31-6) + potassium phenyltrifluoborate → 4-nitrophenyl phenyl sulfone (1146-39-0)

Guidance literature:

With copper(I) chloride; sodium hydroxide; In dichloromethane; at 20 ℃; for 3h;

upstream raw materials:

4-nitrophenyl phenyl sulfide

4-(4-nitrophenylsulfonyl)aniline

sodium benzenesulfonate

4-chlorobenzonitrile

Downstream raw materials:

<4-Ethoxy-phenyl>-phenylsulfon

p-hydroxyphenyl p-tolyl sulfone

(3-aminophenyl)(4-aminophenyl)-sulfone

toluene-4-sulfonic acid-(4-benzenesulfonyl-anilide)

Refernces

• 1、 Ge, Xin,Sun, Fengli,Liu, Xuemin,Chen, Xinzhi,Qian, Chao,Zhou, Shaodong. "Mechanistic aspects of copper (II)-catalyzed synthesis of sulfones from sulfinate salts and aryl halides under C-S coupling". . p. 72 - 78. Retrieved 2018.
• 2、 Menati, Saeid,Amiri Rudbari, Hadi,Askari, Banafshe,Riahi Farsani, Mostafa,Jalilian, Fariba,Dini, Ghasem. "Synthesis and characterization of insoluble cobalt(II), nickel(II), zinc(II) and palladium(II) Schiff base complexes: Heterogeneous catalysts for oxidation of sulfides with hydrogen peroxide". . p. 347 - 356. Retrieved 2016.
• 3、 Curci et al.. "". . p. 740. Retrieved 1970.
• 4、 Liu, Meng,Shi, Song,Zhao, Li,Wang, Min,Zhu, Guozhi,Zheng, Xi,Gao, Jin,Xu, Jie. "Effective Utilization of in Situ Generated Hydroperoxide by a Co-SiO2@Ti-Si Core-Shell Catalyst in the Oxidation Reactions". . p. 683 - 691. Retrieved 2018.
• 5、 Balslev, Henrik,Lund, Henning. "Electrochemical investigation of the reaction between sodium benzenesulfinate and p-halonitrobenzenes". . p. 7889 - 7896. Retrieved 1994.
• 6、 Peng, Yao. "Cu(I)-catalysed coupling of arylsulfinic salts with aryl bromides". . p. 447 - 449. Retrieved 2014.
• 7、 Afrasiabi, Roozbeh,Farsani, Mostafa Riahi,Yadollahi, Bahram. "Highly selective and efficient oxidation of sulfides with hydrogen peroxide catalyzed by a chromium substituted Keggin type polyoxometalate". . p. 3923 - 3925. Retrieved 2014.
• 8、 Lee, Sunwoo,Park, Jin Kyu. "Sulfoxide and Sulfone Synthesis via Electrochemical Oxidation of Sulfides". . p. 13790 - 13799. Retrieved 2021/10/12.