Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
5-Sulfosalicylic acid hydrate can be used in the synthesis of hydrated complexes with benzotriazole,N, N′-dimethylpiperazine andN-methylpiperazine for the study of hydrogen bonding in supramolecular crystal structure.
| Pubchem Sid | 504759800 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759800 |
| Canonical Smiles | C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O |
| IUPAC Name | 2-hydroxy-5-sulfobenzoic acid;hydrate |
| InChIKey | PAUDQWJTTVPGHZ-UHFFFAOYSA-N |
| INCHI | 1S/C7H6O6S.H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3,8H,(H,9,10)(H,11,12,13);1H2 |
| Isomeric SMILES | C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O |
| WGK Germany | 3 |
| PubChem CID | 665025 |
| Molecular Weight | 218.18 (anhydrous basis) |
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 | Sulfobenzoic acids |
| Direct Parent | 3-sulfobenzoic acids |
| Alternative Parents | Sulfosalicylic acids and derivatives Salicylic acids Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Sulfonyls Organosulfonic acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-sulfobenzoic acid - Sulfosalicylic acid or derivatives - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Benzoic acid - Arylsulfonic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group. |
| External Descriptors | Not available |
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| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 236.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.999 Da |
| Monoisotopic Mass | 235.999 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 316.000 |
| 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 | 2 |
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| 12. Jie Song, Yi Mu, Shuang Yu. (2026) Mechanism-Driven Development of Dual-Acid Doped Poly(butylene succinate) Composites for Flexible Sensors with Integrated High Conductivity and Biodegradability. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.5c04269] |