Sodium benzenesulfinate

Base Information

• Chemical Name: Sodium benzenesulfinate
• CAS No.: 873-55-2
• Deprecated CAS: 134347-25-4,53271-64-0,709654-40-0,1220350-10-6,1646600-23-8,167163-40-8,2628649-08-9,53271-64-0,709654-40-0
• Molecular Formula: C6H5NaO2S
• Molecular Weight: 164.16
• Hs Code.: 2904.90
• European Community (EC) Number: 212-842-8
• DSSTox Substance ID: DTXSID6061238
• Nikkaji Number: J76.679H
• Mol file: 873-55-2.mol

Synonyms:benzenesufinate;benzenesulfinic acid;sodium benzenesulfinate

Chemical Property of Sodium benzenesulfinate

Chemical Property:

• Appearance/Colour: white crystalline powder or crystals
• Vapor Pressure: 3.58E-05mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 339.4 °C at 760 mmHg
• Flash Point: 159.1 °C
• PSA: 56.51000
• Density: 0.8 g/cm3 (20oC)
• LogP: 2.13290
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: Water
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.99079485
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Benzenesulfinic acid sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Organic Acids, Metal Salts
• Canonical SMILES: C1=CC=C(C=C1)S(=O)[O-].[Na+]
• Uses: Benzenesulfinic Acid Sodium Salt is used reduce the adverse chemical interaction involved in the coupling of self/dual-cured composites to hydrated dentin. It is used as a polymer adhesive enhancers, plasticizers for plasticized and modified of polyamide, epoxy resin, phenolic resin. It is designed for manufacturing of photography, pharmaceutical, electroplating industry, can be used as photo-reducing agent. Benzenesulfinic acid sodium salt has been used in synthesis of sulfones by reaction of organic halides and sodium benzenesulfinate using higher alcohols or diols as solvents.It was also used in the synthesis of aryl sulfones via copper-catalyzed cross-coupling with boronic acids and vinyl sulfones via reaction with vicinal dibromides.

Technology Process of Sodium benzenesulfinate

There total 60 articles about Sodium benzenesulfinate 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: 97.1%

2-nitrophenylphenyl sulfone + sodium thiophenolate (930-69-8) + thiophenol (108-98-5) → 2-nitrophenylphenyl sulfide + sodium benzenesulfonate (873-55-2)

Guidance literature:

With sodium hydroxide; In methanol; water; toluene;

Reference yield: 96.0%

diphenyliodonium tetrafluoroborate → sodium benzenesulfonate (873-55-2)

Guidance literature:

With iron(III) chloride; rongalite; In N,N-dimethyl-formamide; acetonitrile; at 20 ℃; for 0.333333h; Solvent; Reagent/catalyst;

Reference yield: 95.8%

2-nitrophenylphenyl sulfone + sodium thiophenolate (930-69-8) → 2-nitrophenylphenyl sulfide + sodium benzenesulfonate (873-55-2)

Guidance literature:

In methanol; water; toluene;

upstream raw materials:

2-benzenesulfonyl-pyridine N-oxide

sodium ethanolate

2-(phenylsulfonyl)pyridine

ethanol

Downstream raw materials:

4-(2-(phenylsulfonyl)ethyl)pyridine

2-<(phenylsulfonyl)methyl>pyridine

phenyl isopropyl sulfone

α-chlorobenzyl phenyl sulfone

Refernces

• 1、 -. "2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE". Page/Page column 107. . Retrieved 2021/06/26.
• 2、 Li, Yuxiu,Li, Xiangqian,Li, Xiaowei,Shi, Dayong. "Visible-light-promotedE-selective synthesis of α-fluoro-β-arylalkenyl sulfidesviathe deoxygenation/isomerization process". supporting information. p. 2152 - 2155. Retrieved 2021/03/06.