1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(phosphonooxy)ethyl]-
Basic information
- CAS
67923-61-9- Standard SMILES
CCN(CCOP(=O)(O)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)F- InChIKey
FANHPMCIAHYLOD-UHFFFAOYSA-N- Molecular formula
- C11H11F15NO6PS
- Average molar mass
- 601.22 g/mol
- Monoisotopic mass
- 600.9805177
Names & identifiers
- Preferred name
- 1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(phosphonooxy)ethyl]-
- IUPAC
- 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl dihydrogen phosphate
- English name
- 2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl dihydrogen phosphate
- Molecular formula
- C11H11F15NO6PS
- Molecular weight
- 601.22
Names & synonyms
67923-61-9EINECS 267-777-81-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(phosphonooxy)ethyl]-1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-(phosphonooxy)ethyl)-N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-(phosphonooxy)ethyl)-1-heptanesulfonamideN-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(phosphonooxy)ethyl]-1-heptanesulfonamideRefChem:432923N-Ethyl--N-[2-(phosphonooxy)ethyl]perfluoroheptanesulfonamideDTXSID10708542-(Ethyl((pentadecafluoroheptyl)sulphonyl)amino)ethyl dihydrogen phosphateNS00011238N-Ethyl-N-[2-(phosphonooxy)ethyl]perfluoroheptanesulfonamide
Show more names
2-[ethyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl dihydrogen phosphate
2-(N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamido)ethyl dihydrogen phosphate
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 909
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(phosphonooxy)ethyl]- (67923-61-9)
- 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 Information
Chemical: 1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(phosphonooxy)ethyl]-
S - indicates a substance that is identified in a final Significant New Use Rule.
Other Safety InformationIMAP assessments - Indirect precursors to perfluoroalkyl sulfonates: Environment tier II assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(phosphonooxy)ethyl]-: INACTIVE
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Related reactions
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Compound notes
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