1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)-
Basic information
- CAS
68298-08-8- Standard SMILES
O=S(=O)(NCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
RMTNCHPOOXNCQZ-UHFFFAOYSA-N- Molecular formula
- C12H8F11NO2S
- Average molar mass
- 439.25 g/mol
- Monoisotopic mass
- 439.01000945
Names & identifiers
- Preferred name
- 1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)-
- IUPAC
- N-benzyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
- English name
- N-benzyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-pentane-1-sulfonamide
- Molecular formula
- C12H8F11NO2S
- Molecular weight
- 439.24
Names & synonyms
68298-08-81-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)-DTXSID6071370N-(Phenylmethyl)-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-1-pentanesulfonamideRefChem:435362DTXCID6045822N-benzyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-pentane-1-sulfonamiden-benzyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamideRMTNCHPOOXNCQZ-UHFFFAOYSA-NNS000113111,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N-(phenylmethyl)-1-pentanesulfonamide
Database identifiers
- CAS
68298-08-8- PubChem CID
- 109963
- DTXSID
DTXSID6071370- Nikkaji
- J429.787C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 618
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)- (68298-08-8)
- 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
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(phenylmethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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