≥98%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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.
| Canonical Smiles | CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.O.[Na+] |
|---|---|
| IUPAC Name | sodium;2,4-dimethylbenzenesulfonate;hydrate |
| InChIKey | LAOKFSDVOMOLJF-UHFFFAOYSA-M |
| INCHI | 1S/C8H10O3S.Na.H2O/c1-6-3-4-8(7(2)5-6)12(9,10)11;;/h3-5H,1-2H3,(H,9,10,11);;1H2/q;+1;/p-1 |
| Isomeric SMILES | CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.O.[Na+] |
| Alternate CAS | 827-21-4 |
| PubChem CID | 70700101 |
| Molecular Weight | 226.23 |
| Reaxy-Rn | 4611155 |
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 | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Methylbenzenesulfonates |
| Alternative Parents | Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds m-Xylenes Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-methylbenzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - M-xylene - Xylene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic oxygen compound - Organosulfur compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. |
| 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 |
|---|---|---|---|
 L1910098 | Certificate of Analysis | Oct 19, 2023 | S161151 |
| L2201011 | Certificate of Analysis | Oct 18, 2022 | S161151 |
| K22301060 | Certificate of Analysis | Oct 18, 2022 | S161151 |
| L2201012 | Certificate of Analysis | Oct 18, 2022 | S161151 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Molecular Weight | 226.230 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 226.028 Da |
| Monoisotopic Mass | 226.028 Da |
| Topological Polar Surface Area | 66.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 245.000 |
| 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 | 3 |
