Perfluorononanesulfonic acid
Basic information
- CAS
68259-12-1- Standard SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
MNEXVZFQQPKDHC-UHFFFAOYSA-N- Molecular formula
- C9F19SO3H
- Average molar mass
- 550.14 g/mol
- Monoisotopic mass
- 549.9343001
Names & identifiers
- Preferred name
- Perfluorononanesulfonic acid
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid
- English name
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid
- Molecular formula
- C9HF19O3S
- Molecular weight
- 550.14
Names & synonyms
perfluorononanesulfonic acid68259-12-11,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-DTXSID8071356RefChem:171669DTXCID8045806PFNS perfluorononanesulfonic acid1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Nonadecafluoro-1-nonanesulfonic acidNonadecafluorononane-1-sulfonic acidPFNSNonadecafluoro-1-nonanesulfonic acid
Show more names
Nonadecafluoro-1-nonane sulfonic acidPerfluorononane sulfonate (PFNS) in methanol
SCHEMBL561335PD198596NS00011292
Database identifiers
- CAS
68259-12-1- PubChem CID
- 86998
- DTXSID
DTXSID8071356- Nikkaji
- J429.784I
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 816
Experimental & physicochemical properties
Chemical Classes
Ionic Liquids -> Fluorinated Ionic Liquids
Ionic Liquids
PFAS
PFAS -> Perfluorosulfonic acids
PFAS -> PFAS with analytical method available
PFAS -> Other/unspecified
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> OECD Category
PFAS -> Other/unspecified
Collision Cross Section177.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
Physicochemical properties
- Density
- 1.836 · 1.836±0.06 g/cm3(Predicted)
- pka
- -3.26 · -3.26±0.50(Predicted)
- EPA Substance Registry System
- 1 · 1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro- (68259-12-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Uses• AFFF (detected) [Ref: https://doi.org/10.1021/es3034999]
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> PFsulfonic acids (PFSA)
General Manufacturing Information1-Nonanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-: INACTIVE
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Compound notes
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