perfluoroheptanesulfonic acid

Synonyms: "perfluoroheptanesulfonic acid", "pentadecafluoro-1-heptanesulfonic acid", "perfluoroheptane sulfonic acid", "1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid", "1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonic acid".

Source: perfluoroheptanesulfonic acid is a perfluoroalkyl acid (PFAAs) are used in many industrial applications, such as non-stick coatings, fire retardants, and pesticides. PFAAs are ubiquitous in various environmental media and are distributed globally.

Identifiers:

IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid
CAS Number: 375-92-8
PubChem ID: 67820
InChiKey: OYGQVDSRYXATEL-UHFFFAOYSA-N
Canonical SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F

Structural Properties:

Molecular Formula: C₇HF₁₅O₃S
Molecular Weight: 450.118

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 18
Number of atoms different from hydrogen: 26

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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

Nost TH, Helgason LB, Harju M, Heimstad ES, Gabrielsen GW and Jenssen BM. 2012. Halogenated organic contaminants and their correlations with circulating thyroid hormones in developing Arctic seabirds. Sci Total Environ 414:248-256. DOI: 10.1016/j.scitotenv.2011.11.051. URL: https://www.ncbi.nlm.nih.gov/pubmed/22154184.