Determine the necessary mass, volume, or concentration for preparing a solution.
≥65%(HPLC) 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 | 504757672 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757672 |
| Canonical Smiles | C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+] |
| IUPAC Name | triazanium;4-sulfonatophthalate |
| InChIKey | RMPQIFXEQFYSEM-UHFFFAOYSA-N |
| INCHI | 1S/C8H6O7S.3H3N/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);3*1H3 |
| Isomeric SMILES | C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+] |
| PubChem CID | 173670 |
| Molecular Weight | 297.28 |
| Reaxy-Rn | 16485491 |
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 | 4-sulfobenzoic acids |
| Alternative Parents | 3-sulfobenzoic acids Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-sulfobenzoic acid - 4-sulfobenzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Dicarboxylic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 4-position of the benzene 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 |
|---|---|---|---|
| Certificate of Analysis | Jan 24, 2026 | T162189 | |
| Certificate of Analysis | Jan 24, 2026 | T162189 | |
| Certificate of Analysis | Dec 10, 2025 | T162189 | |
| Certificate of Analysis | Dec 10, 2025 | T162189 | |
| Certificate of Analysis | Feb 09, 2022 | T162189 |
| Solubility | Soluble in water |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 297.290 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 297.063 Da |
| Monoisotopic Mass | 297.063 Da |
| Topological Polar Surface Area | 149.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 369.000 |
| 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 |