1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, compd. with piperidine (1:1)
Basic information
- CAS
71463-74-6- Standard SMILES
C1CC[NH2+]CC1.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)F- InChIKey
FACKVWCNYRYNFS-UHFFFAOYSA-N- Molecular formula
- C13H12F17NO3S
- Average molar mass
- 585.28 g/mol
- Monoisotopic mass
- 585.0266432
Names & identifiers
- Preferred name
- 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, compd. with piperidine (1:1)
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;piperidin-1-ium
Names & synonyms
RefChem:43517871463-74-6Piperidine 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctanesulfonatePiperidinium perfluorooctanesulfonateDTXSID0072352NS00108837Piperidin-1-ium heptadecafluorooctane-1-sulfonate
Database identifiers
- CAS
71463-74-6- PubChem CID
- 20154086
- DTXSID
DTXSID0072352
Properties
Computed structural properties
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 744
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
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.
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, compd. with piperidine (1:1): INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…