Sodium 4-nitrobenzenesulfonate

Base Information

• Chemical Name: Sodium 4-nitrobenzenesulfonate
• CAS No.: 5134-88-3
• Molecular Formula: C6H5NO5S.Na
• Molecular Weight: 225.157
• DSSTox Substance ID: DTXSID40469258
• Mol file: 5134-88-3.mol

Synonyms:5134-88-3;Sodium 4-nitrobenzenesulfonate;AGN-PC-00CFCK;Sodium4-nitrobenzenesulfonate;SCHEMBL2847701;sodium para-nitrobenzenesulfonate;DTXSID40469258;HHGDLPTYJQQMKT-UHFFFAOYSA-M;AKOS024339560;p-nitrobenzene sulfonic acid sodium salt

Chemical Property of Sodium 4-nitrobenzenesulfonate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 224.97078768
• Heavy Atom Count: 14
• Complexity: 266

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Sodium 4-nitrobenzenesulfonate

There total 5 articles about Sodium 4-nitrobenzenesulfonate 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-Nitro-benzenesulfonic acid toluene-4-sulfonylmethyl ester (31081-12-6) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + sodium p-nitrobenzenesulphonic acid (5134-88-3) + sodium 4-methylbenzenesulfinate (824-79-3)

Guidance literature:

With sodium hydroxide; cetyltrimethylammonim bromide; In water; at 32.1 ℃; Rate constant; Mechanism; oder SDS, Igepal catalysis (25 deg C); solvolysis in H₂O, H₂O-dioxane;

DOI:10.1021/jo00196a010

Reference yield:

methyl 4-nitrobenzenesulfonate (6214-20-6) → methyl bromide (74-83-9) + sodium p-nitrobenzenesulphonic acid (5134-88-3)

Guidance literature:

With sodium bromide; In acetonitrile; at 25.04 ℃; Further Variations:; Reagents; Temperatures; Kinetics;

DOI:10.1002/kin.20162

Reference yield:

n-butyl-4-nitrobenzenesulfonate (4028-52-8) → 1-bromo-butane (109-65-9) + sodium p-nitrobenzenesulphonic acid (5134-88-3)

Guidance literature:

With cetyltrimethylammonim bromide; sodium bromide; In water; at 25 ℃; Rate constant; Kinetics; Equilibrium constant;

DOI:10.1021/j100384a046

upstream raw materials:

n-butyl-4-nitrobenzenesulfonate

4-Nitro-benzenesulfonic acid toluene-4-sulfonylmethyl ester

methyl 4-nitrobenzenesulfonate

Downstream raw materials:

4-nitrobenzonitrile

6-Hydroxyphenalenone

methyl 4-nitrobenzenesulfonate

4-Nitrobenzenesulfonyl chloride

Refernces

• 1、 Al-Lohedan, Hamad A.. "Micellar Effects upon the Rates of SN2 Reactions of Halide Ions". . p. 8226 - 8231. Retrieved 2007/10/02.
• 2、 van de Langkruis, Gerard B.,Engberts, Jan B. F. N.. "Micellar Effects on the Reaction of (Arylsulfonyl)alkyl Arenesulfonates with Hydroxide Ion. Microenvironmental and Substituent Effects in the Stern Layer of Cationic Micelles". . p. 4152 - 4157. Retrieved 2007/10/02.