Nonafluorobutanesulfonic acid
Synonyms: perfluorobutanesulfonic acid, "Nonafluoro-1-butanesulfonic acid", "1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid", "Nonafluorobutane-1-sulfonic acid", "1-Perfluorobutanesulfonic acid", "1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid", "PFBS", "perfluorobutane sulfonic acid", "nonafluorobutanesulphonic acid", "1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonic acid", "Perfluoro-1-butanesulfonic Acid"
Source: nonafluorobutanesulfonic acid is a commercially available superstrong perfluoroalkyl acid, which is used during the manufactures of fluoropolymers.
Identifiers:
IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CAS Number: 375-73-5
PubChem ID: 67815
InChiKey: JGTNAGYHADQMCM-UHFFFAOYSA-N
Canonical SMILES: C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F
Structural Properties:
Molecular Formula: C4HF9O3S
Molecular Weight: 300,100
Pharmacophore Features:
Number of bond donors: 1
Number of bond acceptors: 12
Number of atoms different from hydrogen: 17
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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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