perfluorooctane sulfonic acid

Synonyms: "perfluorooctanesulfonic acid", "PFOS", "perfluorooctane sulfonate", "perfluorooctylsulfonic acid", "heptadecafluoro-1-octanesulfonic acid"

Source: perfluorooctane sulfonic acid is used as flame a surfactant in fire fighting foam, alkaline cleaners, and as a chemical intermediate, among others.


IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CAS Number: 2795-39-3
PubChem ID: 74483
Canonical SMILES: C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Structural Properties:

Molecular Formula: C8HF17O3S
Molecular Weight: 500,13

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 29


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Keil DE, Mehlmann T, Butterworth L, Peden-Adams MM. 2008. Gestational exposure to perfluorooctane sulfonate suppresses immune function in B6C3F1 mice. Toxicol Sci 103(1):77-85.
Wolf CJ, Takacs ML, Schmid JE, Lau C, Abbott BD. 2008. Activation of mouse and human peroxisome proliferator-activated receptor alpha by perfluoroalkyl acids of different functional groups and chain lengths. Toxicol Sci 106(1):162-171.

External Links




Jmol viewer