≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN(C)C1=CC=C(C=C1)S(=O)(=O)O |
|---|---|
| IUPAC Name | 4-(dimethylamino)benzenesulfonic acid |
| InChIKey | KZVBBVPCVQEVQK-UHFFFAOYSA-N |
| INCHI | 1S/C8H11NO3S/c1-9(2)7-3-5-8(6-4-7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12) |
| Isomeric SMILES | CN(C)C1=CC=C(C=C1)S(=O)(=O)O |
| Alternate CAS | 121-58-4 |
| PubChem CID | 67140 |
| NSC Number | 3540 |
| Molecular Weight | 201.25 |
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 Dialkylarylamines Aniline and substituted anilines Sulfonyls Organosulfonic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - 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 |
|---|---|---|---|
 I2529090 | Certificate of Analysis | Jul 30, 2025 | B694174 |
| I2529091 | Certificate of Analysis | Jul 30, 2025 | B694174 |
| I2529103 | Certificate of Analysis | Jul 30, 2025 | B694174 |
| I2529104 | Certificate of Analysis | Jul 30, 2025 | B694174 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 201.250 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 201.046 Da |
| Monoisotopic Mass | 201.046 Da |
| Topological Polar Surface Area | 66.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 247.000 |
| 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 |
