Determine the necessary mass, volume, or concentration for preparing a solution.
≥96%(HPLC)(T) 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 | 504752929 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752929 |
| Sonrisas canónicas | C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)N |
| IUPAC Name | 2-amino-5-sulfobenzoic acid |
| InChIKey | MJNYPLCGWXFYPD-UHFFFAOYSA-N |
| INCHI | 1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13) |
| Isómeros SMILES | C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)N |
| PubChem CID | 19151 |
| Peso molecular | 217.2 |
| Beilstein | 14(4)2837 |
| Reaxy-Rn | 2650694 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Sulfobenzoic acids |
| Direct Parent | 3-sulfobenzoic acids |
| Alternative Parents | Aminobenzoic acids 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Aniline and substituted anilines Benzoyl derivatives Vinylogous amides Sulfonyls Organosulfonic acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-sulfobenzoic acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Benzoyl - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Amine - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound |
| Descripción | 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 |
| Punto de fusión (°C) | 317 °C |
|---|---|
| Peso molecular | 217.200 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.004 Da |
| Monoisotopic Mass | 217.004 Da |
| Topological Polar Surface Area | 126.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 319.000 |
| 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 | 1 |