2-Propenoic acid, 2-[butyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethyl ester
Basic information
- CAS
383-07-3- Standard SMILES
C=CC(=O)OCCN(CCCC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
AQQNNAXBGPWALO-UHFFFAOYSA-N- Molecular formula
- C8F17SO2N(C4H9)CH2CH2OC(=O)CHCH2
- Average molar mass
- 653.4 g/mol
- Monoisotopic mass
- 653.0528579
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-[butyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethyl ester
- IUPAC
- 2-[butyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl prop-2-enoate
- English name
- 2-(N-Butylperfluorooctanesulfonamido)ethyl acrylate
- Molecular formula
- C17H16F17NO4S
- Molecular weight
- 653.35
Names & synonyms
2-Propenoic acid, 2-(butyl((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)ethyl ester2-Propenoic acid, 2-[butyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethyl esterRefChem:479160383-07-32-(n-butylperfluorooctanesulfonamido)ethyl acrylate2-[butyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl prop-2-enoate2-(Butyl((heptadecafluorooctyl)sulfonyl)amino)ethyl acrylate2-Propenoic acid,2-[butyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethylester2-[Butyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl acrylateEINECS 206-846-9XSG5QYE44K2-Propenoic acid, 2(((heptadecafluorooctyl)sulfonyl)butylamino)ethyl ester
Show more names
FX-1892-(N-BUTYLPERFLUOROOCTANESULFAMIDO) ETHYL ACRYLATE2-[butyl[(heptadecafluorooctyl)sulphonyl]amino]ethyl acrylate2-(N-Butylperfluorooctanesulfonamido)ethyl acrylate, stabilized
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 16
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Experimental & physicochemical properties
PFAS
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
Physicochemical properties
- Boiling point
- 393.6 · 393.6±52.0 °C(Predicted)
- Density
- 1.5388 · 1.5388 (estimate)
- storage temp.
- 0 · 0-6°C
- pka
- -9.43 · -9.43±0.70(Predicted)
- Henry's Law Constant
- 2.9 · 2.9×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 2 · 2-[Butyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl acrylate (383-07-3)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- 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
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
Chemistry & industry
Uses & manufacturing
Uses
• Floor and wall covering [Ref: http://www.spin2000.net/spinmyphp/]
non-polymer PFAS -> Coatings, Paints and Varnishes -> Paints in general
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information2-Propenoic acid, 2-[butyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]ethyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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