Perfluorodecanesulfonic acid
Basic information
- CAS
335-77-3- 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)C(F)(F)F- InChIKey
HYWZIAVPBSTISZ-UHFFFAOYSA-N- Molecular formula
- C10F21SO3H
- Average molar mass
- 600.15 g/mol
- Monoisotopic mass
- 599.9311065
Names & identifiers
- Preferred name
- Perfluorodecanesulfonic acid
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid
- English name
- henicosafluorodecanesulphonic acid
- Molecular formula
- C10HF21O3S
- Molecular weight
- 600.14
Names & synonyms
perfluorodecane sulfonic acid335-77-3perfluorodecanesulfonic acid1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acidHAI638LYMVDTXSID3040148RefChem:432024DTXCID1020148PFDS perfluorodecanesulfonic acid206-401-9Henicosafluorodecanesulphonic acidHenicosafluorodecane-1-sulfonic acid
Show more names
1-Perfluorodecanesulfonic acidHenicosafluorodecanesulfonic acidPerfluorodecanesulfonic acid in methanolPerfluorodecane Sulfonic Acid(PFDS) in MethanolPerfluorodecanesulfonic Acid (50μg/mL in Methanol)
PFDS1-Decanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluoro-perfluorodecane sulfonatePerfluorodecanesulfonic Acid (50ug/ml in Methanol)UNII-HAI638LYMV1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heneicosafluoro-1-decanesulfonic Acid ; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Henicosafluorodecane-1-sulfonate; PFDS; Heneicosafluoro-1-decanesulfonic Acid;EINECS 206-401-9Heneicosafluoro-1-decanesulfonic acid
Database identifiers
- CAS
335-77-3- PubChem CID
- 67636
- DTXSID
DTXSID3040148- UNII
- HAI638LYMV
- EC Number
- 206-401-9
- Nikkaji
- J193.777D
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 907
Experimental & physicochemical properties
Chemical Classes
Ionic Liquids
Ionic Liquids -> Fluorinated Ionic Liquids
PFAS
PFAS -> Perfluorosulfonic acids
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS (C10HF21O3S)
PFAS -> Other/unspecified
Collision Cross Section
186.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
186.91 Ų [M-H]-
Physicochemical properties
- Density
- 1.835 · 1.835±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- -3.26 · -3.26±0.50(Predicted)
- form
- Solid
- color
- Dark Brown to Black
- Stability
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 Information
Hazard Traits - Hazard Trait Undefined
S - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
Uses
• Used in floor polish [Ref: doi:10.1021/acs.estlett.8b00531]
non-polymer PFAS -> Textile and upholstery -> Textile and upholstery
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> PFsulfonic acids (PFSA)
General Manufacturing Information1-Decanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heneicosafluoro-: INACTIVE
Applications
UsesPerfluorodecane Sulfonic Acid, is a micropollutant found in marine organisms and waste water sludge.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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