Perfluorooctanesulfonamide

Synonyms: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide, "Perfluorooctane sulfonamide", "Perfluoroctylsulfonamide", "PFOSA", "Heptadecafluorooctanesulphonamide", "Perfluorooctanesulfonic acid amide", "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide"

Source: perfluorooctanesulfonamide is a precursor of PFOS (perfluorooctane sulfonate ), an anthropogenic fluorosurfactant and global pollutant.

Identifiers:

IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CAS Number: 754-91-6
PubChem ID: 69785
InChiKey: RRRXPPIDPYTNJG-UHFFFAOYSA-N
Canonical SMILES: C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Structural Properties:

Molecular Formula: C₈H₂F₁₇NO₂S
Molecular Weight: 499,150

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 20
Number of atoms different from hydrogen: 29

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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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