≥98% 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.
| Canonical Smiles | C1=CC=C(C=C1)S(=O)[O-].O.O.[Na+] |
|---|---|
| IUPAC Name | sodium;benzenesulfinate;dihydrate |
| InChIKey | MYXJYAIKMQJHIB-UHFFFAOYSA-M |
| INCHI | 1S/C6H6O2S.Na.2H2O/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;2*1H2/q;+1;;/p-1 |
| Isomeric SMILES | C1=CC=C(C=C1)S(=O)[O-].O.O.[Na+] |
| RTECS | DA9135000 |
| Alternate CAS | 873-55-2 |
| PubChem CID | 23681562 |
| Molecular Weight | 200.18 |
| Beilstein | 11,2 |
| Reaxy-Rn | 3598405 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Sulfinic acids and derivatives Organosulfur compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 C2201527 | Certificate of Analysis | Dec 12, 2025 | S131677 |
| C2201534 | Certificate of Analysis | Dec 12, 2025 | S131677 |
| C2201568 | Certificate of Analysis | Dec 12, 2025 | S131677 |
| C2202025 | Certificate of Analysis | Dec 12, 2025 | S131677 |
| H2518136 | Certificate of Analysis | Aug 28, 2025 | S131677 |
| E1529107 | Certificate of Analysis | Feb 06, 2023 | S131677 |
| Solubility | Soluble in water |
|---|---|
| Melt Point(°C) | >310°C |
| Molecular Weight | 200.190 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 200.012 Da |
| Monoisotopic Mass | 200.012 Da |
| Topological Polar Surface Area | 61.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 112.000 |
| 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 |
