≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.
| ALogP | 1.8 |
|---|
| Sonrisas canónicas | COS(=O)(=O)C1=CC=C(C=C1)Cl |
|---|---|
| IUPAC Name | methyl 4-chlorobenzenesulfonate |
| InChIKey | VQFKYAZZFFNYQV-UHFFFAOYSA-N |
| INCHI | 1S/C7H7ClO3S/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3 |
| Isómeros SMILES | COS(=O)(=O)C1=CC=C(C=C1)Cl |
| PubChem CID | 167290 |
| Peso molecular | 206.65 |
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 | Not available |
| Direct Parent | Benzenesulfonate esters |
| Alternative Parents | Benzenesulfonyl compounds Arylsulfonic acids and derivatives Chlorobenzenes Organosulfonic acid esters Aryl chlorides Sulfonyls Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid. |
| External Descriptors | Not available |
| Sensibilidad | Moisture sensitive |
|---|---|
| Peso molecular | 206.650 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 205.98 Da |
| Monoisotopic Mass | 205.98 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| 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 |
