Basic information
- CAS
68084-62-8- Standard SMILES
C=CC(=O)OCCN(C)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
BEYGZFVOTUDDJK-UHFFFAOYSA-N- Molecular formula
- C7F15SO2N(CH3)CH2CH2OC(O)CH=CH2
- Average molar mass
- 561.27 g/mol
- Monoisotopic mass
- 561.0091014
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-(methyl((pentadecafluoroheptyl)sulfonyl)amino)ethyl ester
- IUPAC
- 2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate
- English name
- 2-[methyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl acrylate
- Molecular formula
- C13H10F15NO4S
- Molecular weight
- 561.26
Names & synonyms
68084-62-8AK7DL88GSNEINECS 268-448-12-Propenoic acid, 2-(methyl((pentadecafluoroheptyl)sulfonyl)amino)ethyl ester2-Propenoic acid, 2-(methyl((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)amino)ethyl ester2-Propenoic acid, 2-(((pentadecafluoroheptyl)sulfonyl)methylamino)ethyl ester2-Propenoic acid, 2-[methyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester2-(METHYL((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUOROHEPTYL)SULFONYL)AMINO)ETHYL 2-PROPENOATE2-[Methyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]ethyl 2-propenoate2-Propenoic acid, 2-[methyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]ethyl esterRefChem:4791872-(Methyl((pentadecafluoroheptyl)sulphonyl)amino)ethyl acrylate
Show more names
2-[methyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl acrylatePropenoic acid 2-[methyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester
UNII-AK7DL88GSNDTXSID1071080SCHEMBL178913512-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methylheptyl)sulfonamido)ethyl acrylateNS000112242-(Methyl((perfluoroheptyl)sulfonyl)amino)ethyl acrylate2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoro-N-methylheptane-1-sulfonamido)ethyl prop-2-enoate2-(N-methyl1,1,2,2,3,3,4,4,5,5,6,6,7,7,7- pentadecafluoroheptanesulfonamido)ethyl prop-2- enoate
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 876
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 336.1 · 336.1±52.0 °C(Predicted)
- Density
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- pka
- -9.42 · -9.42±0.70(Predicted)
- Henry's Law Constant
- 3.5 · 3.5×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 7 DL88GSN · AK7DL88GSN
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-[methyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester (68084-62-8)
- 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 Information2-Propenoic acid, 2-[methyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]ethyl ester: ACTIVE
Suppliers1 total
Portail Substances Chimiques[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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