Perfluorohexanesulfonic acid

Synonyms: Perfluorohexanesulfonic acid, "1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid", "perfluorohexane sulfonic acid", "Perfluorohexane-1-sulphonic acid", "1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-", "ZU6Y1E592S", "Perfluorohexane-1-sulfonic 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: 400,120

Pharmacophore Features:

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

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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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