≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | C1=CC=C(C(=C1)C#N)OCC(CS(=O)(=O)C2=CC=C(C=C2)Cl)O |
|---|---|
| IUPAC Name | 2-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]benzonitrile |
| InChIKey | KJLYWCNMBMCVMJ-UHFFFAOYSA-N |
| INCHI | 1S/C16H14ClNO4S/c17-13-5-7-15(8-6-13)23(20,21)11-14(19)10-22-16-4-2-1-3-12(16)9-18/h1-8,14,19H,10-11H2 |
| Isómeros SMILES | C1=CC=C(C(=C1)C#N)OCC(CS(=O)(=O)C2=CC=C(C=C2)Cl)O |
| PubChem CID | 5101812 |
| Peso molecular | 351.81 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Phenoxy compounds Phenol ethers Benzonitriles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Sulfones Secondary alcohols Nitriles Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Secondary alcohol - Nitrile - Carbonitrile - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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 |
| Peso molecular | 351.800 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 351.033 Da |
| Monoisotopic Mass | 351.033 Da |
| Topological Polar Surface Area | 95.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 516.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropoxy}benzenecarbonitrile - ≥90% CAS No(478079-76-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C949322.jpg)