(1H,1H,7H-perfluoroheptyl)-2-sulfohexadecanoate sodium salt (CHEM118187)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 05:35:05 UTC | ||||||||
| Update Date | 2026-05-21 04:20:02 UTC | ||||||||
| Accession Number | CHEM118187 | ||||||||
| Identification | |||||||||
| Common Name | (1H,1H,7H-perfluoroheptyl)-2-sulfohexadecanoate sodium salt | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type |
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| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H33F12NaO5S | ||||||||
| Average Molecular Mass | 672.540 g/mol | ||||||||
| Monoisotopic Mass | 672.175 g/mol | ||||||||
| CAS Registry Number | 75032-94-9 | ||||||||
| IUPAC Name | Sodium 1-[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-1-oxohexadecane-2-sulfonate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].CCCCCCCCCCCCCCC(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)S([O-])(=O)=O | ||||||||
| InChI Identifier | InChI=1/C23H34F12O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(41(37,38)39)17(36)40-15-19(26,27)21(30,31)23(34,35)22(32,33)20(28,29)18(24)25;/h16,18H,2-15H2,1H3,(H,37,38,39);/q;+1/p-1 | ||||||||
| InChI Key | DPBDNYKNXXGMEK-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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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
