N-((Perfluorooctyl)-1-ethyl)pyridinium 4-methylbenzenesulfonate (CHEM110021)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 21:44:19 UTC | ||||||||
| Update Date | 2026-05-21 00:24:45 UTC | ||||||||
| Accession Number | CHEM110021 | ||||||||
| Identification | |||||||||
| Common Name | N-((Perfluorooctyl)-1-ethyl)pyridinium 4-methylbenzenesulfonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H16F17NO3S | ||||||||
| Average Molecular Mass | 697.410 g/mol | ||||||||
| Monoisotopic Mass | 697.058 g/mol | ||||||||
| CAS Registry Number | 61798-68-3 | ||||||||
| IUPAC Name | 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium 4-methylbenzenesulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(C=C1)S([O-])(=O)=O.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[N+]1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1/C15H9F17N.C7H8O3S/c16-8(17,4-7-33-5-2-1-3-6-33)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6H,4,7H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1 | ||||||||
| InChI Key | ZUDDXBNNEBHAMS-UHFFFAOYSA-M | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
