1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide

HCID 109968CAS 68298-12-4

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Grundinformationen

Standard-SMILES: CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: GFZPUWKGPNHWHD-UHFFFAOYSA-N
Summenformel: C4F9SO2NHCH3
Durchschnittliche Molmasse: 313,14 g/mol
Monoisotopische Masse: 312,98190335

Namen und Bezeichner

Bevorzugter Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
IUPAC: 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
Englischer Name: N-(Methyl)nonafluorobutanesulfonamide
Summenformel: C5H4F9NO2S
Molmasse: 313.14

Namen und Synonyme

N-Methylperfluorobutanesulfonamide1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamideRefChem:409537614-396-368298-12-4N-(Methyl)nonafluorobutanesulfonamideMeFBSA1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamideMFCD19707291C5H4F9NO2SPFBSAm-Me

Weitere Namen anzeigen

N-Methyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamideN-Methyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide

C4F9SO2NHCH3SCHEMBL155471SCHEMBL394730DTXSID1071373methyl perfluorobutane sulfonamideN-MethylnonafluorobutanesulfonamideFM83533NS00011240

Datenbank-Bezeichner

CAS: 68298-12-4
PubChem CID: 109968
DTXSID: DTXSID1071373
EC Number: 614-396-3
Nikkaji: J429.789J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 54,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 12
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 406

Experimentelle und physikochemische Eigenschaften

PFAS · 6 Einträge

PFAS -> Perfluoroalkylsulfonamides

PFAS -> PFalkylsulfonamides (FASA)

PFAS -> non-polymer

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances

Physical DescriptionCBI

Collision Cross Section138.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

Physikochemische Eigenschaften

Schmelzpunkt: 33 · 33-38°C
Siedepunkt: 215 ℃ · 215℃ at 101.325kPa
Dichte: 1.646 · 1.646±0.06 g/cm3(Predicted)
Dampfdruck: 1.333 · 1.333-2.533Pa at 20-25℃
storage temp.: Refrigerator
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 7.58 · 7.58±0.40(Predicted)
Farbe: Off-White to Pale Yellow
LogP: 3.59 · 3.59
EPA chemische Informationen: 1 · 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl- (68298-12-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (36.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P318, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Cease Manufacture Update: 30-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32215

Hazard Classes and CategoriesAcute Tox. 3 (36.8%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2935909099

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

• Surfactants for inks, paints, waxes [Ref: Norwegian Environment Agency. 2017. Investigation of Sources of PFBS into the Environment (M-759).]

non-polymer PFAS -> Printing (Inks) -> Toner and printer inks

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

Use Classification · 2 Einträge

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS -> PFalkylsulfonamides (FASA)

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-: ACTIVE

Anwendungen

Verwenden1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamide is derived from Nonafluoro-1-butanesulfonyl Fluoride (N649320), which is a useful perfluorinated compound (PFC) used in organic synthesis.