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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 386
Experimentelle und physikochemische Eigenschaften
PFAS
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
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- Chloroform (Sparingly), Methanol (Sparingly)
- Aggregatzustand
- Liquid
- Farbe
- Colorless to yellow
- Wichte
- 1.682 · 1.682
- Wasserlöslichkeit
- Hydrolyses in water.
- BRN
- 1813589 · 1813589
- Stabilität
- Hygroscopic
- InChI
- 1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16
- InChIKey
- LUYQYZLEHLTPBH-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(F)(=O)=O
- CAS Datenbank
- 375 · 375-72-4(CAS DataBase Reference)
- NIST chemische Informationen
- Nonafluorobutanesulfonyl fluoride(375-72-4)
- EPA chemische Informationen
- 1 · 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro- (375-72-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
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
Hazard Classes and Categories
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
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-25
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
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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