≥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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504760839 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760839 |
| Canonical Smiles | C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+] |
| IUPAC Name | disodium;4,5-dihydroxybenzene-1,3-disulfonate;hydrate |
| InChIKey | ZLRROLLKQDRDPI-UHFFFAOYSA-L |
| INCHI | 1S/C6H6O8S2.2Na.H2O/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2 |
| Isomeric SMILES | C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].O.[Na+].[Na+] |
| WGK Germany | 3 |
| RTECS | CZ9263000 |
| Alternate CAS | 149-45-1 |
| PubChem CID | 2723960 |
| Molecular Weight | 332.22 |
| Beilstein | 4629740 |
| Reaxy-Rn | 4629740 |
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 | Benzenesulfonic acids and derivatives |
| Alternative Parents | Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Organic salt - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic sodium salt - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring. |
| 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 |
|---|---|---|---|
 G2220889 | Certificate of Analysis | May 09, 2026 | T104955 |
| G2220789 | Certificate of Analysis | May 09, 2026 | T104955 |
| G2220890 | Certificate of Analysis | May 09, 2026 | T104955 |
| K2201819 | Certificate of Analysis | Nov 03, 2022 | T104955 |
| K2201847 | Certificate of Analysis | Nov 03, 2022 | T104955 |
| K2428106 | Certificate of Analysis | Nov 03, 2022 | T104955 |
| L2510051 | Certificate of Analysis | Nov 03, 2022 | T104955 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Melt Point(°C) | 300°C |
| Molecular Weight | 332.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 0 |
| Exact Mass | 331.925 Da |
| Monoisotopic Mass | 331.925 Da |
| Topological Polar Surface Area | 173.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 413.000 |
| 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 | 4 |
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