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 | CCN(CCCP(=O)(O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
|---|---|
| IUPAC Name | 3-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]propylphosphonic acid |
| InChIKey | INHFWJVSNWHLSP-UHFFFAOYSA-N |
| INCHI | 1S/C13H13F17NO5PS/c1-2-31(4-3-5-37(32,33)34)38(35,36)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h2-5H2,1H3,(H2,32,33,34) |
| Isomeric SMILES | CCN(CCCP(=O)(O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| Alternate CAS | 71463-78-0 |
| PubChem CID | 3085470 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Alkyl halides |
| Subclass | Alkyl fluorides |
| Intermediate Tree Nodes | Perfluoroalkyl sulfonic acid and derivatives |
| Direct Parent | Perfluorooctane sulfonic acid and derivatives |
| Alternative Parents | Organosulfonamides Organic sulfonamides Organic phosphonic acids Aminosulfonyl compounds Organophosphorus compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Perfluorooctane sulfonic acid or derivatives - Organic sulfonic acid amide - Organosulfonic acid amide - Organophosphonic acid - Organophosphonic acid derivative - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitrogen compound - Organosulfur compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organophosphorus compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as perfluorooctane sulfonic acid and derivatives. These are organic compounds containing an octyl chain attached to the sulfur of a sulfonic acid (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms. |
| External Descriptors | Not available |
| Molecular Weight | 649.260 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 13 |
| Exact Mass | 648.998 Da |
| Monoisotopic Mass | 648.998 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1000.000 |
| 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 |
