1,1,2,2,3,3,4,4,4-Nonafluorbutan-1-sulfonylfluorid

Perfluoro-1-butanesulfonyl fluoride

HCID 67814CAS 375-72-4

Grundinformationen

Standard-SMILES
O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
LUYQYZLEHLTPBH-UHFFFAOYSA-N
Summenformel
C4F10O2S
Durchschnittliche Molmasse
302,09 g/mol
Monoisotopische Masse
301,94593244

Namen und Bezeichner

Bevorzugter Name
Perfluoro-1-butanesulfonyl fluoride
IUPAC
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride
Lokaler Name
1,1,2,2,3,3,4,4,4-Nonafluorbutan-1-sulfonylfluorid
Englischer Name
Nonafluorobutanesulfonyl fluoride
Summenformel
C4F10O2S
Molmasse
302.09

Namen und Synonyme

375-72-4Perfluorobutanesulfonyl fluoridePerfluoro-1-butanesulfonyl fluorideNonafluoro-1-butanesulfonyl fluorideperfluorobutane-1-sulphonyl fluoride1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-WC4FPA9BCMDTXSID20861913n-Nonafluorobutanesulfonyl fluoride1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluorideEINECS 206-792-61,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonyl fluoride
Weitere Namen anzeigen
PBSFFC-4Perfluoro n-butylsulfonyl fluorideNonaflylfluorideFX-450KGS/DRUM
EC 206-792-61,1,2,2,3,3,4,4,4-Nonafluorobutan-1-sulfonyl fluorideRefChem:860215DTXCID80810765Nonafluorobutanesulfonyl fluoride1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoridenonafluorobutane-1-sulfonyl fluorideMFCD00007422

Datenbank-Bezeichner

CAS
375-72-4
PubChem CID
67814
DTXSID
DTXSID20861913
UNII
WC4FPA9BCM
EC Number
206-792-6
Nikkaji
J213.577I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,4
Polarare Oberfläche (TPSA)
42,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
12
Frei drehbare Bindungen
3
Schwere Atome
17

Experimentelle und physikochemische Eigenschaften

PFAS · 6 Einträge

PFAS -> Other/unspecified

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

PFAS -> OECD Category

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

PFAS

Physikochemische Eigenschaften

Schmelzpunkt
-110 °C · -110°C
Siedepunkt
64 °C · 64 °C (lit.)
Dichte
1.682 g/mL · 1.682 g/mL at 25 °C (lit.)
Dampfdruck
16.665 kPa · 16.665kPa at 20℃
Brechungsindex
20 · n20/D 1.3(lit.)
Flammpunkt
65 · 65-66°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 22.8% (38 of 167) of reports.

Danger

H314 (76.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 167 reports by companies from 14 notifications to the ECHA C&L Inventory.

Warning

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-

1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro- 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: Active Update: 12-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10698

Other Safety InformationIMAP assessments - Perfluorobutanesulfonic acid and its direct precursors: Environment tier II assessment
Hazard Classes and Categories · 2 Einträge

Skin Corr. 1B (76.6%)

Eye irritation - category 2A

Sicherheitsdaten

F
10-21
wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29049090
risk_code
34

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <75,000 lb
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro-: ACTIVE
Anwendungen · 2 Einträge

VerwendenBenzynes were generated from o-(trimethylsilyl) phenols using nonafluorobutanesulfonyl fluoride (NfF) by a domino process.Nonafluorobutanesulfonyl fluoride (nonaflyl fluoride, C 4 F 9 SO 2 F, NfF) is the most widely used commercially available reagent for the synthesis of nonaflates.

VerwendenNonafluorobutanesulfonyl fluoride (NfF, NBSF, PBSF) can be used as a general-purpose diazotransfer reagent with high efficiency, wide substrate range, good shelf stability, relatively low cost, and easy purification. It is a favourable alternative to other commonly used diazotransfer reagents[1]. In addition, Nonafluorobutanesulfonyl fluoride was used in the formation of a new dehydrated glycosylation scheme. In contrast to the main classical glycosylation reactions, this scheme glycosylation reaction is carried out under mildly alkaline conditions. In the absence of an external acceptor, the glycosyl hemiacetal undergoes self-condensation, providing the corresponding symmetric 1,1'- disaccharide in high yield[2].

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