≥98% 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.
| Canonical Smiles | CCCCCCCCCCCCCCCCOCCCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)O |
|---|---|
| IUPAC Name | 3-hexadecoxypropoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid |
| InChIKey | FVSLZCGRQJPZGG-UHFFFAOYSA-N |
| INCHI | 1S/C27H49O7PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-23-17-24-33-35(28,29)25-34-36(30,31)27-20-18-26(2)19-21-27/h18-21H,3-17,22-25H2,1-2H3,(H,28,29) |
| Isomeric SMILES | CCCCCCCCCCCCCCCCOCCCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)O |
| PubChem CID | 11628375 |
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 | Benzenesulfonate esters |
| Alternative Parents | p-Methylbenzenesulfonates Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Phosphonic acid esters Organosulfonic acid esters Sulfonyls Organic phosphonic acids Dialkyl ethers Organophosphorus compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Phosphonic acid ester - Organosulfonic acid ester - Organophosphonic acid - Organophosphonic acid derivative - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Dialkyl ether - Ether - Organosulfur compound - Organophosphorus compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 548.700 g/mol |
|---|---|
| XLogP3 | 8.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 24 |
| Exact Mass | 548.294 Da |
| Monoisotopic Mass | 548.294 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 658.000 |
| 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 |
