Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate

• CAS: 73606-19-6
• Catalog Number: ACM73606196
• Category: Main Products
• Molecular Weight: 570.67
• Molecular Formula: C8ClF16KO4S
• Description: Potassium 9-chlorohexadecafluoro-3-oxanonane-1-sulfonate is a chemical compound that consists of a potassium cation (K+) and an anionic molecule with a long perfluorinated carbon chain.
• Synonyms: 2-(6-Chlorododecafluorohexyloxy)-1,1,2,2-Tetrafluoroethanesulfonic Acid Potassium Salt, F-53B
• Appearance: Solid
• Application: Perfluorinated sulfonates and their salts have various industrial applications, such as surfactants.
• Exact Mass: 569.859
• PSA: 74.81
• XLogP3: 5.7802

Case Study

Monitoring and Analysis Method for Potassium 9-Chlorohexadecafluoro-3-Oxononane-1-Sulfonate

Igarashi, Yuki, et al. Chemical and Pharmaceutical Bulletin, 2021, 69(3), 286-290.

Potassium 9-chlorohexadecafluoro-3-oxononane-1-sulfonate (F-53B) is an alternative to perfluorooctane sulfonate (PFOS), which has persistent and potential environmental and health risks. F-53B can be analyzed in a variety of samples, such as bottled water, tea and juice samples, using liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) and solid phase extraction (SPE).
Monitoring and Analysis of F-53B
· In electrospray negative ion mode, the detection limit and quantitation limit (LOQ) values were 0.1 to 0.8 ng/mL and 0.2 to 1.6 ng/mL, respectively. The calibration curve is linear ( r 2 > 0.999) from the LOQ to 50 ng/mL.
· The SPE procedure (Presep PFC-II) was used for sample preparation, with recoveries of 80.4-118.8% and relative standard deviations (RSD) ≤ 0.6% for three standards (35, 70, and 140 ng/L).

Phytoabsorption and Hydrothermal Liquefaction Degradation of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate

Kato, Kayoko, et al. Chemosphere, 2018, 209, 338-345.

Potassium 9-chlorohexafluoro-3-oxononane-1-sulfonate (F-53B) is a polyfluorinated substance with ether linkages (ether-PFAS), which has been widely used to replace traditional PFAS. However, widespread use of F-53B will inevitably lead to the release of these chemicals into the environment. Phytoremediation using plants to extract F-53B from contaminated soil, sediment or water, followed by hydrothermal liquefaction (HTL). This may be an effective strategy for remediation of sites contaminated with these emerging contaminants.
Hydrothermal liquefaction degradation of F-53B
· F-53B was recalcitrant to the thermal treatment and all remaining undegraded F-53B was associated with biochar after HTL. Adding Ca(OH)2 can significantly enhance the degradation of F-53B in plant tissues to 100%.
· The degradation of F-53B also started with a detachment of the terminal Cl.
· The oxygen bridge (C-O bond) in HC6F12OC2F4SO3- was then cleaved, forming ·OC2F4SO3- and HC6F12·.
· The detection of HC4F8· and HOOC2F2SO3- in the HTL products implied that ·OC2F4SO3- and HC5F10· could undergo the same flake-off defluorination reaction.

Custom Q&A

What is the molecular formula of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate?

The molecular formula is C8ClF16KO4S.

What are the synonyms of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate?

The synonyms are 73606-19-6, Potassium 9-chlorohexadecafluoro-3-oxanonane-1-sulfonate, 2-[(6-Chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)oxyl]-1,1,2,2-tetrafluoroethanesulfonic acid, potassium salt, DTXSID60881236, and OWQCHLFKOGVODW-UHFFFAOYSA-M.

What is the molecular weight of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate?

The molecular weight is 570.67 g/mol.

What is the parent compound of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate?

The parent compound is Perfluoro(2-((6-chlorohexyl)oxy)ethanesulfonic acid) (CID 22568738).

What are the component compounds of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate?

The component compounds are Potassium (CID 5462222) and Perfluoro(2-((6-chlorohexyl)oxy)ethanesulfonic acid) (CID 22568738).

When was Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate created?

Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate was created on April 9, 2009.

When was Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate last modified?

Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate was last modified on October 21, 2023.

What is the IUPAC name of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate?

The IUPAC name is potassium;2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonate.

What is the InChI of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate?

The InChI is InChI=1S/C8HClF16O4S.K/c9-5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)29-7(22,23)8(24,25)30(26,27)28;/h(H,26,27,28);/q;+1/p-1.

What is the Canonical SMILES of Potassium 9-Chlorohexadecafluoro-3-Oxanonane-1-Sulfonate?

The Canonical SMILES is C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F.[K+].