Basic information
- CAS
68555-73-7- Standard SMILES
CCN(CCO)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
HINASMOVWHGCAK-UHFFFAOYSA-N- Molecular formula
- C11H10F15NO3S
- Average molar mass
- 521.24 g/mol
- Monoisotopic mass
- 521.0141868
Names & identifiers
- Preferred name
- N-Ethyl-pentadecafluoro-N-(2-hydroxyethyl)-1-heptanesulfonamide
- IUPAC
- N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulfonamide
- English name
- N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulphonamide
- Molecular formula
- C11H10F15NO3S
- Molecular weight
- 521.24
Names & synonyms
N-Ethyl-pentadecafluoro-N-(2-hydroxyethyl)-1-heptanesulfonamide68555-73-7EINECS 271-451-0C255399QMLN-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulphonamide1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-DTXSID1071662(N-ETHYLPERFLUOROHEPTYLSULFONAMIDO)ETHANOLRefChem:829980DTXCID1046132271-451-0UNII-C255399QML
Show more names
N-ethylperfluoro-N-(2-hydroxyethyl)-1-heptanesulfonamideN-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-1-heptanesulfonamide
EtFHpSEN-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulfonamideSCHEMBL8859576HINASMOVWHGCAK-UHFFFAOYSA-NNS00009942N-ethyl perfluoroheptanesulfonamido ethanol, n=7N-Ethyl--N-(2-hydroxyethyl)perfluoroheptanesulfonamideQ27275088
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 740
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS (N-ethyl perfluoroheptanesulfonamido ethanol, n=7)
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 304 · 304.0±52.0 °C(Predicted)
- Density
- 1.639 · 1.639±0.06 g/cm3(Predicted)
- pka
- 14.1 · 14.10±0.10(Predicted)
- Henry's Law Constant
- 9 · 9.0×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 255399 QML · C255399QML
- 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-hydroxyethyl)- (68555-73-7)
- 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-hydroxyethyl)-
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Indirect precursors to perfluoroalkyl sulfonates: Environment tier II assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS (N-ethyl perfluoroheptanesulfonamido ethanol, n=7)
General Manufacturing Information1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-: INACTIVE
Suppliers1 total
Portail Substances Chimiques[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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