1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
Basic information
- CAS
34449-89-3- Standard SMILES
CCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ZSBOIPHQFKYRMG-UHFFFAOYSA-N- Molecular formula
- C8H10F9NO3S
- Average molar mass
- 371.22 g/mol
- Monoisotopic mass
- 371.02376781
Names & identifiers
- Preferred name
- 1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
- IUPAC
- N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
- English name
- N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulphonamide
- Molecular formula
- C8H10F9NO3S
- Molecular weight
- 371.22
Names & synonyms
34449-89-31-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-EINECS 252-035-8N-Ethylnonafluoro-N-(2-hydroxymethyl)-1-butanesulfonamideRefChem:430852N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamideN-Ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulphonamideSCHEMBL1550645V9RT6E5R9DTXSID0067846N-Ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-1-butanesulfonamideNS00010974
Show more names
N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-1-Butanesulfonamide N-Ethylnonafluoro-N-(2-hydroxymethyl)-1-butanesulfonamide n-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-1-butanesulfonamid
N-Ethyl-perfluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
Database identifiers
- CAS
34449-89-3- PubChem CID
- 118686
- DTXSID
DTXSID0067846- UNII
- 5V9RT6E5R9
- EC Number
- 252-035-8
- Nikkaji
- J250.895H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 482
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 265.9 · 265.9±50.0 °C(Predicted)
- Density
- 1.575 · 1.575±0.06 g/cm3(Predicted)
- pka
- 14.05 · 14.05±0.10(Predicted)
- Henry's Law Constant
- 1.3 · 1.3×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 1 · 1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)- (34449-89-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- TSCA
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: 1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Indirect precursors of perfluorobutanesulfonate (PFBS): Human health tier II assessment
Safety data
- tsca
- TSCA listed
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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