p-Toluenesulfinic acid sodium salt tetrahydrate
- CAS No.
- 868858-48-4
- Chemical Name:
- p-Toluenesulfinic acid sodium salt tetrahydrate
- Synonyms
- SPTS.4H20;SodiuM p-Toluenesulfinate 4-;4-TOLUENESULFINIC ACID NA 4H2O;SodiuM p-Toluenesulfinate SODIUM 4-TOLUENESULFINATE TETRAHYDRATE;SODIUM P-TOLUENESULFINATE TETRAHYDRATE;Sodium p-Toluenesulfinate Tetrahydrate>sodium,4-methylbenzenesulfinate,tetrahydrate;Sodium p-Toluenesulfinate Tetrahydrate;p-Toluenesulfinic acid sodium salt tetrahydrate
- CBNumber:
- CB0449586
- Molecular Formula:
- C7H15NaO6S
- Molecular Weight:
- 250.25
- MDL Number:
- MFCD00149644
- MOL File:
- Mol file
- MSDS File:
- SDS
| storage temp. | Inert atmosphere,Room Temperature |
|---|---|
| Water Solubility | Soluble in water |
| form | powder to crystal |
| color | White to Light yellow |
| Merck | 14,9532 |
| crystal system | Monoclinic, P 21 /c |
| InChI | InChI=1S/C7H8O2S.Na.4H2O/c1-6-2-4-7(5-3-6)10(8)9;;;;;/h2-5H,1H3,(H,8,9);;4*1H2/q;+1;;;;/p-1 |
| InChIKey | MLPRYQZBDONMGJ-UHFFFAOYSA-M |
| SMILES | C1(=CC=C(C)C=C1)S([O-])=O.O.O.O.O.[Na+] |
| CAS DataBase Reference | 868858-48-4 |
p-Toluenesulfinic acid sodium salt tetrahydrate price More Price(16)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | T0763 | Sodium p-Toluenesulfinate Tetrahydrate >98.0%(T) | 868858-48-4 | 25g | $24 | 2026-04-30 | Buy |
| TCI Chemical | T0763 | Sodium p-Toluenesulfinate Tetrahydrate >98.0%(T) | 868858-48-4 | 500g | $188 | 2026-04-30 | Buy |
| ChemScene | CS-0160331 | 4-methyl-Benzenesulfinic acid sodium salt hydrate 1:1:4 ≥98% | 868858-48-4 | 5g | $11 | 2026-06-04 | Buy |
| ChemScene | CS-0160331 | 4-methyl-Benzenesulfinic acid sodium salt hydrate 1:1:4 ≥98% | 868858-48-4 | 25g | $15 | 2026-06-04 | Buy |
| ChemScene | CS-0160331 | 4-methyl-Benzenesulfinic acid sodium salt hydrate 1:1:4 ≥98% | 868858-48-4 | 100g | $26 | 2026-06-04 | Buy |
p-Toluenesulfinic acid sodium salt tetrahydrate Chemical Properties, Uses, Production
Crystal Structure
P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE (Na+·C7H7O2S·4H2O) is a white crystalline powder. The crystal structure is dominated by hydrogen bonds. Except for one of the hydrogen atoms on one water molecule that is part of a O–H···π interaction, all of the water molecules take part in O–H···O hydrogen bonding. Each of the sulfinic acid group's O atoms acts as multifold acceptor. The molecular geometry around the sulfate atom is tetrahedral, with X–S–Y angles ranging from 102.23(6) to 110.04(6). In the crystal, the water molecules link the sodium cations into chains along the b-axis via O—H hydrogen bonds. In total, the components of the crystal structure are connected to double layers perpendicular to the crystallographic a axis with the hydrophobic aromatic moieties forming the outer surfaces of these layers. π-Stacking is not a prominent feature of the crystal structure with the shortest distance between two aromatic systems found at 5.5359 (11) Å[1].
Uses
Sodium p-toluenesulfinate Hydrate is used in organic chemical reactions as an alkylating agent, non-oxidizing catalyst, intermediate for the synthesis of biologically active compounds. of grades are available including Mil Spec (military grade), ACS, Reagent and Technical Grade, Food, Agricultural and Pharmaceutical Grade, Optical Grade, USP and EP/BP (European Pharmacopoeia/British Pharmacopoeia).
Synthesis
The aryl sulfonyl chloride (10.0 mmol, 1.0 equiv) was dissolved in 30 mL water. Sodium sulfite (16.0 mmol, 1.6 equiv) and sodium bicarbonate (16.0 mmol, 1.6 equiv) were added, and the reaction mixture was refluxed for 3 h. The water was evaporated, and ethanol was added to the residue. The suspension was heated for 10 min, cooled, and filtered through a 20 μm polyethylene frit. This was repeated twice with the residue from the filtration. The ethanol fractions were combined, and the solvent was evaporated under vacuum, The sodium arylsulfinates were isolated as white powders.
References
[1] Richard Betz, Thomas G. (2011). Sodium p-toluenesulfinate tetra-hydrate. Acta Crystallographica. Section E, Structure Reports Online, 67 Pt 7, m898. https://doi.org/10.1107/s1600536811021738
p-Toluenesulfinic acid sodium salt tetrahydrate Preparation Products And Raw materials
Raw materials
Preparation Products
p-Toluenesulfinic acid sodium salt tetrahydrate Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shouguang Nuomeng Chemical Co Ltd. | 0536-5399456 13869682027 | holly@nuomengchem.com | China | 47 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Sichuan Kulinan Technology Co., Ltd | 400-1166-196 18981987031 | cdhxsj@163.com | China | 11674 | 57 |
| Maya High Purity Chemicals | +86 (573) 82222445 (0)18006601000 452520369 | sales@maya-r.com | China | 11693 | 57 |
| Jiangsu Aikon Biopharmaceutical R&D co.,Ltd. | 025-66113011 13913916777 | cfzhang@aikonchem.com | China | 19902 | 55 |
| TOKYO CHEMICAL INDUSTRY CO., LTD. | 03-36680489 | Sales-JP@TCIchemicals.com | Japan | 28364 | 80 |
View Latest Price from p-Toluenesulfinic acid sodium salt tetrahydrate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-08-25 | P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE
868858-48-4
|
$2.00-6.00 | 1KG | 99% | ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD | ||
 |
2026-08-25 | Sodium P-Toluenesulfinate Tetrahydrate, SPTS, P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE
868858-48-4
|
$5800.00 | 1KG | 98% Min. | 200 tons per month | Shouguang Nuomeng Chemical Co Ltd. | |
 |
2026-06-30 | P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE
868858-48-4
|
1kg | 98% | 1000kg | Shaanxi Dideu New Materials Co. Ltd |
-
- P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE
868858-48-4
- $2.00-6.00
- 99%
- ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
-
- Sodium P-Toluenesulfinate Tetrahydrate, SPTS, P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE
868858-48-4
- $5800.00
- 98% Min.
- Shouguang Nuomeng Chemical Co Ltd.
-
- P-TOLUENESULFINIC ACID SODIUM SALT TETRAHYDRATE
868858-48-4
- 98%
- Shaanxi Dideu New Materials Co. Ltd
