Perfluoroheptanesulfonic acid

Synonyms: Pentadecafluoro-1-heptanesulfonic 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", "perfluoroheptane sulfonic 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: 450,120

Pharmacophore Features:

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

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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