2,3,5,6-Tetramethylbenzenesulfonic acid
2,3,5,6-tetramethylbenzenesulfonic acid
Also Known As: 2,3,5,6-tetramethylbenzenesulfonic acid|1,2,4,5-Tetramethylbenzol-sulfonsaeure|2,3,5,6-Tetramethylbenzene-1-sulfonic acid|AS-871/43296515|BENZENESULFONIC ACID, 2,3,5,6-TETRAMETHYL-, SODIUM SALT(1:1)
CAS: 69998-58-9
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.06636 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.06636 |
| Monoisotopic Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 69998-58-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)S(=O)(=O)O)C)C |
| InChIKey | KJJMOCUMRBSKTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (8 patents)
Coatings & Adhesives (1 patents)
Heterocyclic Building Blocks (5 patents)
Organic Building Blocks (9 patents)
Pharmaceutical Intermediates (14 patents)
Polymer Intermediates (2 patents)
Product Overview
2,3,5,6-Tetramethylbenzenesulfonic acid (CAS 69998-58-9), with molecular formula C10H14O3S and molecular weight 214.06636 g/mol. IUPAC: 2,3,5,6-tetramethylbenzenesulfonic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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