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

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 Property

storage temp. 

2-8°C

solubility 

DMSO: Sparingly soluble: 1-10 mg/ml
Ethanol: Slightly soluble: 0.1-1 mg/ml

InChI

InChI=1S/C8HClF16O4S.K.H/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);;

InChIKey

LPOJQHZZFKUHOD-UHFFFAOYSA-N

SMILES

C(F)(F)(C(F)(F)C(F)(F)C(F)(F)Cl)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(O)(=O)=O.[KH]

EPA Substance Registry System

Potassium 9-chlorohexadecafluoro-3-oxanonane-1-sulfonate (73606-19-6)

Hazard and Precautionary Statements (GHS)

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 Chemical Properties,Usage,Production

Description

9-Chlorohexadecafluoro-3-oxanone-1-sulfonic acid (9Cl-PF3ONS) is a chlorinated polyfluoroalkyl substance (PFAS).1 It binds to the ligand-binding domains of estrogen receptor α (ERα) and ERβ (IC50s = 99.3 and 63.4 µM, respectively, for the human receptors) and increases the levels of vitellogenin (Vtg), estradiol (E2), and testosterone in zebrafish larvae when used at a concentration of 500 nM. 9Cl-PF3ONS (20 and 100 mg/kg) decreases serum triiodothyronine (T3) and thyroxine (T4) levels and induces thyroid gland follicular hyperplasia in rats.2 It has been found in breast milk and negatively correlates with infant length gain rate.3 9Cl-PF3ONS has also been found in river and lake water.4WARNING This product is not for human or veterinary use.

Health effects

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 can induce oxidative stress by damaging the body's antioxidant system.

References

[1] YAN XIN. Chlorinated Polyfluoroalkylether Sulfonic Acids Exhibit Stronger Estrogenic Effects than Perfluorooctane Sulfonate by Activating Nuclear Estrogen Receptor Pathways[J]. Environmental Science and Technology, 2020, 54 6: 3455-3464. DOI: 10.1021/acs.est.9b07708
[2] SO-HYE HONG. Orally Administered 6:2 Chlorinated Polyfluorinated Ether Sulfonate (F-53B) Causes Thyroid Dysfunction in Rats.[J]. Toxics, 2020. DOI: 10.3390/toxics8030054
[3] HANGBIAO JIN . Poly- and perfluoroalkyl substance concentrations in human breast milk and their associations with postnatal infant growth[J]. Science of the Total Environment, 2020, 713: Article 136417. DOI: 10.1016/j.scitotenv.2019.136417
[4] YUAN WANG; Yaqi C; Yali Shi. Spatial distribution, seasonal variation and risks of legacy and emerging per- and polyfluoroalkyl substances in urban surface water in Beijing, China[J]. Science of the Total Environment, 2019, 673: Pages 177-183. DOI: 10.1016/j.scitotenv.2019.04.067