perfluorohexanesulfonic acid

Synonyms: "perfluorohexanesulfonic acid", "355-46-4", "1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid", "perfluorohexane sulfonic acid", "perfluorohexane-1-sulphonic acid", "PFHxS", "perfluorohexane-1-sulfonic acid", "perfluorohexanesulphonic acid", "tridecafluorohexane-1-sulfonic acid".

Source: perfluorohexanesulfonic acid is used to make other organic chemicals containing fluorine.

Identifiers:

IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
CAS Number: 355-46-4
PubChem ID: 67734
InChiKey: QZHDEAJFRJCDMF-UHFFFAOYSA-N
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

Structural Properties:

Molecular Formula: C₆HF₁₃O₃S
Molecular Weight: 400.110

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 16
Number of atoms different from hydrogen: 23

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

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Shah-Kulkarni, S., Kim, B.M., Hong, Y.C., Kim, H.S., Kwon, E.J., Park, H., Kim, Y.J. and Ha, E.H., 2016. Prenatal exposure to perfluorinated compounds affects thyroid hormone levels in newborn girls. Environment international, 94, pp.607-613. DOI: 10.1016/j.envint.2016.06.024. URL: http://www.sciencedirect.com/science/article/pii/S0160412016302422.
Vongphachan V, Cassone CG, Wu D, Chiu S, Crump D, Kennedy SW. 2011. Effects of perfluoroalkyl compounds on mRNA expression levels of thyroid hormone-responsive genes in primary cultures of avian neuronal cells. Toxicol Sci 120(2):392-402. DOI: 10.1093/toxsci/kfq395. URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3061477/Watkins AM, Wood CR, Lin MT and Abbott BD. 2015. The effects of perfluorinated chemicals on adipocyte differentiation in vitro. Mol Cell Endocrinol 400:90-101. DOI: 10.1016/j.mce.2014.10.020. URL: https://www.ncbi.nlm.nih.gov/pubmed/25448844.
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