Tridecafluorohexane-1-sulfonic acid potassium salt - ≥95% , CAS No.3871-99-6

CAS: 3871-99-6 Cat. No.: T122294 Molecular Weight: 438.2 EC Number: 223-393-2 PubChem CID: 23678874

GRADE & PURITY ≥95%

Synonyms

1-HEXANESULFONIC ACID, TRIDECAFLUORO-, POTASSIUM SALT | Potassium perfluorohexanesulfonate | NCGC00163913-01 | NCGC00254361-01 | NCGC00162179-05 | SR-01000076106-2 | UNII-4Y7972M53L | AS-74015 | NCGC00260954-01 | SCHEMBL544675 | 1ST9512-1000M | Tridecaflu

Storage

Argon charged

Shipped In

Normal

Overview

Application

Tridecafluorohexanesulfonic Acid is a perfluorinated compound that has been identified to be a p-glycoprotein (p-gp) inhibitor and therefore, a chemosensitizer. Tridecafluorohexanesulfonic Acid is part of a new class of global environmental pollutant; they bioaccumulate and are persistent in the environment and wildlife.

Specifications

Synonyms

1-HEXANESULFONIC ACID, TRIDECAFLUORO-, POTASSIUM SALT | Potassium perfluorohexanesulfonate | NCGC00163913-01 | NCGC00254361-01 | NCGC00162179-05 | SR-01000076106-2 | UNII-4Y7972M53L | AS-74015 | NCGC00260954-01 | SCHEMBL544675 | 1ST9512-1000M | Tridecaflu

Specifications & Purity

≥95%

Storage

Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769628
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769628
• Canonical Smiles: C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[K+]
• IUPAC Name: potassium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
• InChIKey: RSCGQEBKFSGWJT-UHFFFAOYSA-M
• INCHI: 1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);/q;+1/p-1
• Isomeric SMILES: C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[K+]
• WGK Germany: 3
• PubChem CID: 23678874
• Molecular Weight: 438.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl sulfonic acid and derivatives
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Organic metal halides Organofluorides Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl sulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Organic metal halide - Organic alkali metal salt - Organofluoride - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as perfluoroalkyl sulfonic acid and derivatives. These are organic compounds containing an alkyl chain attached to the sulfur of a sulfonic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Standards; Enzyme Activators and Inhibitors
• Sensitivity: Sensitive to humidity
• Molecular Weight: 438.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 5
• Exact Mass: 437.9 Da
• Monoisotopic Mass: 437.9 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 559.000
• 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: 2

XLogP3

References

1. Liu Xiao-Pan, Sun Wen-Qian, Zhao Meng-Ge, Zhang Xing-Jie, Liu Li-Hong, Chen Chang-Po.  (2022)  Fluoro-functionalized ionic covalent organic frameworks (F-iCOFs) for highly selective enrichment and sensitive determination of perfluorinated sulfonates by MALDI-MS.  MICROCHIMICA ACTA,  189  (12): (1-10).  [PMID:36342547] [10.1007/s00604-022-05542-9]

2. Hui YU, Yan-Fei CHEN, Hui-Qin GUO, Wen-Tian MA, Jing LI, Shui-Gen ZHOU, Sen LIN, Liu-Shui YAN, Ke-Xin LI.  (2019)  Preparation of Molecularly Imprinted Carbon Microspheres by One-Pot Hydrothermal Method and Their Adsorption Properties to Perfluorooctane Sulfonate.  CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,      [PMID:] [10.1016/S1872-2040(19)61200-4]

3. Wei Chen, Xiaoping Zhang, Mairambek Mamadiev, Zihao Wang.  (2017)  Sorption of perfluorooctane sulfonate and perfluorooctanoate on polyacrylonitrile fiber-derived activated carbon fibers: in comparison with activated carbon.  RSC Advances,  7  (2): (927-938).  [PMID:] [10.1039/C6RA25230C]

4. Xingxing Wang, Jian Gao, Shuaichuan Cui, Shihan Liu, Yifan Huang, Yifan Zhang, Pengyang Deng.  (2025)  A high flux continuous thin UiO-66-NH2 membrane (CTUM) for rapid dyes separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.131914]

5. Shusu Shen, Qifeng Fan, Honglin Li, Lunbo Xu, Ganwei Zhang, Renbi Bai.  (2024)  Simple surface modification of PVDF membrane via a quaternization of NM88B for efficient oil/water separation.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2024.105352]

6. Jinni Zhang, Hang Su, Yanhui Zhong, Zian Lin, Zongwei Cai.  (2025)  Guanidine-based covalent organic frameworks for the highly efficient extraction of alternative per-and polyfluoroalkyl substances from environmental water samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114650]

7. Jixiang Gong, Xuri Wu, Xin He, Feng Tan.  (2025)  Proteomic and metabolic responses in zebrafish embryos exposed to polystyrene nanoparticles and perfluorooctane sulfonate.  Environmental Science-Nano,      [PMID:] [10.1039/D5EN00231A]

8. Qingqin Liu, Xiaobao Lv, Chaojun Li, Ping Xing, Lin Ling, Hao-Yang Wang.  (2026)  Gas-Phase F-Atom Migration Reactions of Perfluoroalkyl and Polyfluoroalkyl Sulfonic/Sulfinic Anions.  RAPID COMMUNICATIONS IN MASS SPECTROMETRY,  40  (7): (e70035).  [PMID:41539986] [10.1002/rcm.70035]