Undecafluoro-N-(2-hydroxyethyl)-N-methyl-1-pentanesulfonamide
Basic information
- CAS
68555-74-8- Standard SMILES
CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
BRBCKWCOTRPYGH-UHFFFAOYSA-N- Molecular formula
- C8H8F11NO3S
- Average molar mass
- 407.2 g/mol
- Monoisotopic mass
- 407.00492407
Names & identifiers
- Preferred name
- Undecafluoro-N-(2-hydroxyethyl)-N-methyl-1-pentanesulfonamide
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulfonamide
- English name
- 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulphonamide
- Molecular formula
- C8H8F11NO3S
- Molecular weight
- 407.2
Names & synonyms
68555-74-8Undecafluoro-N-(2-hydroxyethyl)-N-methyl-1-pentanesulfonamideEINECS 271-452-63N9C82Q6ZG1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulfonamideDTXSID60716631,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N-(2-hydroxyethyl)-N-methylpentane-1-sulphonamideUNDECAFLUORO-N-(2-HYDROXYETHYL)-N-METHYL-1-PENTANESULPHONAMIDE1-PENTANESULPHONAMIDE, 1,1,2,2,3,3,4,4,5,5,5-UNDECAFLUORO-N-(2-HYDROXYETHYL)-N-METHYL-RefChem:901021DTXCID6046133
Show more names
N-methylperfluoro-N-(2-hydroxyethyl)-1-pentanesulfonamide1,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N-(2-hydroxyethyl)-N-metylpentane-1-sulfonamide1,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N-(2-hydroxyethyl)-N-methyl-1-pentanesulfonamide
271-452-6UNII-3N9C82Q6ZGSCHEMBL8859647NS00009874
Database identifiers
- CAS
68555-74-8- PubChem CID
- 110555
- DTXSID
DTXSID6071663- UNII
- 3N9C82Q6ZG
- EC Number
- 271-452-6
- Nikkaji
- J309.208I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 551
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
Physicochemical properties
- Boiling point
- 260.2 · 260.2±50.0 °C(Predicted)
- Density
- 1.651 · 1.651±0.06 g/cm3(Predicted)
- pka
- 14.1 · 14.10±0.10(Predicted)
- Henry's Law Constant
- 3.4 · 3.4×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 3 N9C82Q6ZG · 3N9C82Q6ZG
- EPA Substance Registry System
- 1 · 1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methyl- (68555-74-8)
- 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: 1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methyl-
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methyl-: 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 precusors of perfluoroalkane sulfonic acids (PFSA) (C5-C7): Human health tier II assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Pentanesulfonamide, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-N-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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