N-Methylperfluorooctanesulfonamidoethanol
Basic information
- CAS
24448-09-7- Standard SMILES
CN(CCO)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
PLGACQRCZCVKGK-UHFFFAOYSA-N- Molecular formula
- C11H8F17NO3S
- Average molar mass
- 557.23 g/mol
- Monoisotopic mass
- 556.995343
Names & identifiers
- Preferred name
- N-Methylperfluorooctanesulfonamidoethanol
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide
- English name
- heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctanesulphonamide
- Molecular formula
- C11H8F17NO3S
- Molecular weight
- 557.22
Names & synonyms
24448-09-7N-MethylperfluorooctanesulfonamidoethanolN-(2-Hydroxyethyl)-N-methylperfluorooctanesulfonamideVE397DM7FDHeptadecafluoro-N-(2-hydroxyethyl)-N-methyloctanesulphonamide1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyl-N-METHYL-N-ETHANOLPERFLUOROOCTANESULFONAMIDEN-METHYLPERFLUOROOCTANESULFONAMIDE ETHYL ALCOHOLRefChem:830759MeFOSE AlcoholN-Methyl-N-(2-hydroxyethyl)perfluorooctanesulfonamideMeFOSE
Show more names
N-Methyl perfluorooctane sulfonamide ethanolC14231570 N-(2-Hydroxyethyl)-N-methylperfluorMethylperfluorooctanesulfonamide ethyl alcohol2-[Methyl(heptadecafluorooctylsulfonyl)amino]ethanolN-Methyl-Perfluoroctanesulfonamidoethano in Methanol
NMeFOSE1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamideDTXSID7027831N-(2-Hydroxyethyl)-N-methylperfluorooctanesulphonamideN-Methylperfluorooctanesulfonamidoethanol (50ug/mL in Methanol)N-Methylperfluorooctanesulfonamidoethanol (>80%)EINECS 246-262-1C11H8F17NO3S
Database identifiers
- CAS
24448-09-7- PubChem CID
- 90507
- DTXSID
DTXSID7027831- UNII
- VE397DM7FD
- EC Number
- 246-262-1
- Nikkaji
- J27.716I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 813
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkylsulfonamides
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> PFalkylsulfonamidoethanols
Collision Cross Section193.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
Physicochemical properties
- Melting point
- 95 oC · >95oC (dec.)
- Boiling point
- 299.8 · 299.8±50.0 °C(Predicted)
- Density
- 1.694 · 1.694±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
- form
- Solid
- pka
- 14.11 · 14.11±0.10(Predicted)
- color
- White to Off-White
- Henry's Law Constant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyl-
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctanesulphonamide
Other Safety InformationIMAP assessments - Indirect Precursors of Perfluorooctane Sulfonate (PFOS): Human health tier II assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Manufacture of Metal Products -> Manufacture of fabricated metal products, except machinery and equipment
• Detected in treated apparel [Ref: Berger, Urs, and Dorte Herzke. 2006. Per- and Polyfluorinated Substances (PFAS) Extracted from Textile Samples. Organohalogen Compounds 68: 2023â26.]
Use Classification
PFAS -> PFalkylsulfonamidoethanols
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyl-: ACTIVE
Applications
UsesN-Methylperfluorooctanesulfonamidoethanol (>80%) is a derivative of Perfluorooctanesulfonamide (FOSA) (P286245), which represents an important subgroup of the environmental contaminants known as perfluorinated compounds (PFCs).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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