1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methyl-
Basic information
- CAS
68555-76-0- Standard SMILES
CN(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
UIZUTEDYGNRNSW-UHFFFAOYSA-N- Molecular formula
- C10H8F15NO3S
- Average molar mass
- 507.22 g/mol
- Monoisotopic mass
- 506.9985367
Names & identifiers
- Preferred name
- 1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methyl-
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulfonamide
- English name
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulphonamide
- Molecular formula
- C10H8F15NO3S
- Molecular weight
- 507.22
Names & synonyms
68555-76-0EINECS 271-454-71-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methyl-RefChem:432914Pentadecafluoro-N-(2-hydroxyethyl)-N-methyl-1-heptanesulfonamide1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulfonamideSCHEMBL8859625DTXSID60716651,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoro-N-(2-hydroxyethyl)-N-methylheptane-1-sulphonamideNS00011251N-(2-Hydroxyethyl)-N-methyl-perfluoroheptanesulfonamideN-methylperfluoro-N-(2-hydroxyethyl)-1-heptanesulfonamide
Show more names
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoro-N-(2-hydroxyethyl)-N-metylheptane-1-sulfonamide1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoro-N-(2-hydroxyethyl)-N-methyl-1-heptanesulfonamide
Database identifiers
- CAS
68555-76-0- PubChem CID
- 110557
- DTXSID
DTXSID6071665- EC Number
- 271-454-7
- Nikkaji
- J309.210K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 724
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
- Boiling point
- 286.6 · 286.6±50.0 °C(Predicted)
- Density
- 1.682 · 1.682±0.06 g/cm3(Predicted)
- pka
- 14.11 · 14.11±0.10(Predicted)
- Henry's Law Constant
- 1.2 · 1.2×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 1 · 1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methyl- (68555-76-0)
- 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, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methyl-
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methyl-: 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 precusors of perfluoroalkane sulfonic acids (PFSA) (C5-C7): Human health tier II assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)-N-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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