Benzenesulfonyl chloride, 4-((4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl)oxy)-
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Basic information
- CAS
51947-19-4- Standard SMILES
O=S(=O)(Cl)c1ccc(OC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1- InChIKey
VOEFEIDNANPLSQ-UHFFFAOYSA-N- Molecular formula
- C16H4ClF19O3S
- Average molar mass
- 672.7 g/mol
- Monoisotopic mass
- 671.9266279
Names & identifiers
- Preferred name
- Benzenesulfonyl chloride, 4-((4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl)oxy)-
- IUPAC
- 4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxybenzenesulfonyl chloride
- English name
- p-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl]oxy]benzenesulphonyl chloride
- Molecular formula
- C16H4ClF19O3S
- Molecular weight
- 672.69
Names & synonyms
EINECS 257-538-6Benzenesulfonyl chloride, 4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]-4-((4,4,5,5,5-Pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)benzenesulfonyl chlorideBenzenesulfonyl chloride, 4-((4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl)oxy)-Benzenesulfonyl chloride, 4-((4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)-Benzenesulfonyl chloride, 4-[[4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl]oxy]-RefChem:56504551947-19-44-(Perfluoro(4-ethyl-3,4-dimethylhex-2-en-2-yl)oxy)benzene-1-sulfonyl chlorideDTXSID7068689NS000111454-{[1,1,1,5,5,6,6,6-Octafluoro-4-(pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxy}benzene-1-sulfonyl chloride
Show more names
p-[[4,4,5,5,5-Pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl]oxy]benzenesulfonyl chloride
Properties
Computed structural propertiesFilling in
- XLogP
- 9.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzenesulfonyl chloride, 4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]- (51947-19-4)
- 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 InformationBenzenesulfonyl chloride, 4-[[4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl]oxy]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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