≥97% 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.
Phenylsulfonylacetone is an active methylene compound. It undergoes asymmetric reduction in the presence of fermenting bakers′ yeast to afford (S)-(+)-2-hydroxypropyl phenyl suIfone.
Phenylsulfonylacetone may be used in the synthesis of 2,3,5-trisubstituted furans.
| Sonrisas canónicas | CC(=O)CS(=O)(=O)C1=CC=CC=C1 |
|---|---|
| IUPAC Name | 1-(benzenesulfonyl)propan-2-one |
| InChIKey | YBLGSNMIIPIRFC-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| Isómeros SMILES | CC(=O)CS(=O)(=O)C1=CC=CC=C1 |
| WGK Alemania | 3 |
| PubChem CID | 735827 |
| Peso molecular | 198.24 |
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 | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Sulfones Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Sulfonyl - Sulfone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 55-59°C |
|---|---|
| Peso molecular | 198.240 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 198.035 Da |
| Monoisotopic Mass | 198.035 Da |
| Topological Polar Surface Area | 59.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 268.000 |
| 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 |
B2603075