≥98.0% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488200556 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200556 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)[O-].O.O.O.O.[Na+] |
| IUPAC Name | sodium;4-methylbenzenesulfinate;tetrahydrate |
| InChIKey | MLPRYQZBDONMGJ-UHFFFAOYSA-M |
| 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 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)[O-].O.O.O.O.[Na+] |
| RTECS | XT4725000 |
| PubChem CID | 23690860 |
| Molecular Weight | 250.24 |
| Beilstein | 11,9 |
| Reaxy-Rn | 511128 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Sulfinic acids and derivatives Organosulfur compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Sulfinic acid derivative - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2109224 | Certificate of Analysis | Sep 09, 2025 | S161159 |
| L2109727 | Certificate of Analysis | Sep 09, 2025 | S161159 |
| C2512595 | Certificate of Analysis | May 11, 2024 | S161159 |
| C2512596 | Certificate of Analysis | May 11, 2024 | S161159 |
| C2512599 | Certificate of Analysis | May 11, 2024 | S161159 |
| C2512600 | Certificate of Analysis | May 11, 2024 | S161159 |
| F2028073 | Certificate of Analysis | Apr 03, 2024 | S161159 |
| K2320413 | Certificate of Analysis | Oct 27, 2023 | S161159 |
| K2320416 | Certificate of Analysis | Oct 27, 2023 | S161159 |
| Solubility | Soluble in ethanol |
|---|---|
| Molecular Weight | 250.250 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 250.049 Da |
| Monoisotopic Mass | 250.049 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 6 |
