Basic information
- CAS
1893-52-3- Standard SMILES
C=CC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
QJRQXQMZXHXNPA-UHFFFAOYSA-N- Molecular formula
- C13H12F13NO4S
- Average molar mass
- 525.28 g/mol
- Monoisotopic mass
- 525.0279451
Names & identifiers
- Preferred name
- 2-(Ethyl((tridecafluorohexyl)sulphonyl)amino)ethyl acrylate
- IUPAC
- 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl prop-2-enoate
- English name
- 2-[ethyl[(tridecafluorohexyl)sulphonyl]amino]ethyl acrylate
- Molecular formula
- C13H12F13NO4S
- Molecular weight
- 525.2829216
Names & synonyms
1893-52-36SDN1IX2S82-Propenoic acid, 2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester2-(Ethyl((tridecafluorohexyl)sulphonyl)amino)ethyl acrylateEINECS 217-581-3DTXSID60620482-Propenoic acid, 2-(ethyl((tridecafluorohexyl)sulfonyl)amino)ethyl ester2-Propenoic acid, 2-(ethyl((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)ethyl ester2-[ETHYL[(TRIDECAFLUOROHEXYL)SULPHONYL]AMINO]ETHYL ACRYLATE2-Propenoic acid, 2-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]ethyl esterRefChem:460907DTXCID2035982
Show more names
Propenoic acid 2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester2-Propenoic acid, 2-[ethyl[(tridecafluorohexyl)sulfonyl]amino] ethyl ester
217-581-32-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl prop-2-enoateUNII-6SDN1IX2S8SCHEMBL7920244NS000111162-(N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamido)ethyl prop-2-enoate2-[Ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]ethyl Ester 2-Propenoic Acid
Properties
Computed structural properties
- XLogP
- 4.9
- 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 -> Intentionally added food contact chemicals
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
Physicochemical properties
- FDA UNII
- 6 SDN1IX2S8 · 6SDN1IX2S8
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester (1893-52-3)
- 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: 2-Propenoic acid, 2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: 2-[ethyl[(tridecafluorohexyl)sulphonyl]amino]ethyl acrylate
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 Information2-Propenoic acid, 2-[ethyl[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]ethyl ester: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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