1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-2-propen-1-yl-
Basic information
- CAS
40630-65-7- Standard SMILES
C=CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
CZDUSUUDDSHUFI-UHFFFAOYSA-N- Molecular formula
- C7H6F9NO2S
- Average molar mass
- 339.18 g/mol
- Monoisotopic mass
- 338.99755307
Names & identifiers
- Preferred name
- 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-2-propen-1-yl-
- IUPAC
- 1,1,2,2,3,3,4,4,4-nonafluoro-N-prop-2-enylbutane-1-sulfonamide
- English name
- N-allyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide
- Molecular formula
- C7H6F9NO2S
- Molecular weight
- 339.1786688
Names & synonyms
EINECS 255-013-61-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-2-propenyl-1,1,2,2,3,3,4,4,4-Nonafluoro-N-2-propenyl-1-butanesulfonamide1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-2-propen-1-yl-RefChem:43084640630-65-7N-Allyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamideN-AllylperfluorobutanesulfonamideDTXSID9068243SCHEMBL190423761,1,2,2,3,3,4,4,4-nonafluoro-N-(prop-2-en-1-yl)butane-1-sulfonamideNS00011305
Show more names
N-Allyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-propenyl)-1-butanesulfonamide
Database identifiers
- CAS
40630-65-7- PubChem CID
- 170402
- DTXSID
DTXSID9068243- EC Number
- 255-013-6
- Nikkaji
- J294.721H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 462
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 201.1 · 201.1±50.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 6.94 · 6.94±0.40(Predicted)
- EPA Substance Registry System
- 1 · 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-2-propenyl- (40630-65-7)
- 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 Information1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-2-propen-1-yl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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