Perfluorononanoic acid
Synonyms: heptadecafluorononanoic acid, "Perfluoro-n-nonanoic acid", "Nonanoic acid, heptadecafluoro-", "Perfluorononan-1-oic acid", "PFNA", "Heptadecafluoropelargonic Acid", "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid", "n-Heptadecafluorononanoic acid"
Source: perfluorononanoic acid is a member of a class of perfluorinated alkanoic acids commonly used as lubricants, plasticizers, wetting agents and corrosion, as well as emulsifiers and surfactants in fluoropolymer manufacturing.
Identifiers:
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CAS Number: 375-95-1
PubChem ID: 67821
InChiKey: UZUFPBIDKMEQEQ-UHFFFAOYSA-N
Canonical SMILES: C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Structural Properties:
Molecular Formula: C9HF17O2
Molecular Weight: 464,080
Pharmacophore Features:
Number of bond donors: 1
Number of bond acceptors: 19
Number of atoms different from hydrogen: 28
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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)
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Evidence Supporting This Chemical as an Emerging Contaminant
Christensen, K. Y., Raymond, M., Thompson, B. A., & Anderson, H. A. (2016). Perfluoroalkyl substances in older male anglers in Wisconsin. Environment international, 91, 312-318.