Tridecafluorohexane-1-sulfonic acid potassium salt - CAS 3871-99-6
Catalog: |
BB023735 |
Product Name: |
Tridecafluorohexane-1-sulfonic acid potassium salt |
CAS: |
3871-99-6 |
Synonyms: |
potassium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate |
IUPAC Name: | potassium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate |
Description: | Tridecafluorohexane-1-sulfonic acid potassium salt (CAS# 3871-99-6) 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. |
Molecular Weight: | 438.20 |
Molecular Formula: | C6F13KO3S |
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+] |
InChI: | 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 |
InChI Key: | RSCGQEBKFSGWJT-UHFFFAOYSA-M |
Melting Point: | >250 °C |
Purity: | 95 % |
Appearance: | Beige crystalline |
MDL: | MFCD00066406 |
LogP: | 4.30870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
29694846 | 20180601 | Reproductive and developmental toxicity of potassium perfluorohexanesulfonate in CD-1 mice | Reproductive toxicology (Elmsford, N.Y.) |
22178014 | 20120125 | The inhibitory effects of perfluoroalkyl substances on human and rat 11β-hydroxysteroid dehydrogenase 1 | Chemico-biological interactions |
20619251 | 20101006 | Inhibition of human and rat 3beta-hydroxysteroid dehydrogenase and 17beta-hydroxysteroid dehydrogenase 3 activities by perfluoroalkylated substances | Chemico-biological interactions |
19429404 | 20090601 | Evaluation of potential reproductive and developmental toxicity of potassium perfluorohexanesulfonate in Sprague Dawley rats | Reproductive toxicology (Elmsford, N.Y.) |
Complexity: | 559 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 437.8997626 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 16 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 437.8997626 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 65.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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