Basic information
- CAS
66008-70-6- Standard SMILES
C=CC(=O)OCCN(C)S(=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
JERPDWBDDQYOBE-UHFFFAOYSA-N- Molecular formula
- C13H12F13NO4S
- Average molar mass
- 525.28 g/mol
- Monoisotopic mass
- 525.0279451
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulfonyl]amino]ethyl ester
- IUPAC
- 2-[methyl(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate
- English name
- 2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulphonyl]amino]ethyl acrylate
- Molecular formula
- C13H12F13NO4S
- Molecular weight
- 525.28
Names & synonyms
EINECS 266-061-22-Propenoic acid, 2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulfonyl]amino]ethyl ester2-Propenoic acid, 2-(methyl((2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulfonyl)amino)ethyl esterRefChem:47917766008-70-62-(Methyl((perfluorohexyl)methylsulfonyl)amino)ethyl 2-propenoateV2YA6Y6XT5SCHEMBL2790668DTXSID9070377NS000110482-(Methyl((2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulphonyl)amino)ethyl acrylate2-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-N-methylheptane-1-sulfonamido)ethyl prop-2-enoate
Show more names
2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulphonyl]amino]ethyl acrylatePropenoic acid 2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulfonyl]amino]ethyl ester
2-[Methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulfonyl]amino]ethyl 2-propenoate
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 802
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-[methyl[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulfonyl]amino]ethyl ester (66008-70-6)
- 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[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)sulfonyl]amino]ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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