N-Fluorobenzenesulfonimide
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Grundinformationen
- CAS
133745-75-2- Standard-SMILES
O=S(=O)(c1ccccc1)N(F)S(=O)(=O)c1ccccc1- InChIKey
RLKHFSNWQCZBDC-UHFFFAOYSA-N- Summenformel
- C12H10FNO4S2
- Durchschnittliche Molmasse
- 315,3 g/mol
- Monoisotopische Masse
- 315,00352831
Namen und Bezeichner
- Bevorzugter Name
- N-Fluorobenzenesulfonimide
- IUPAC
- N-(benzenesulfonyl)-N-fluorobenzenesulfonamide
- Englischer Name
- N-Fluorobenzenesulfonimide
- Summenformel
- C12H10FNO4S2
- Molmasse
- 315.34
Namen und Synonyme
N-Fluorobenzenesulfonimide133745-75-2N-Fluoro-N-(phenylsulfonyl)benzenesulfonamideNFSIACCUFLUOR NFSINFBS(Phso2)2NFBENZENESULFONAMIDE, N-FLUORO-N-(PHENYLSULFONYL)-38TGL3A00IDTXSID10343177RefChem:830032DTXCID70294257
Weitere Namen anzeigen
N-FLUOROBENZENESULFONAMIDEN-FluorobenzenesulfonmideN-fluorobisbenzenesulfonamideN-(benzenesulfonyl)-S-phenylfluoranesulfonamido
431-940-3603-762-8N-Fluorodibenzenesulfonimiden-fluorobenzenesulphonimidebis(phenylsulfonyl)fluoroamineN-(benzenesulfonyl)-N-fluorobenzenesulfonamideN-Fluorobis(phenylsulfonyl)amineMFCD00144885
Datenbank-Bezeichner
- CAS
133745-75-2- PubChem CID
- 588007
- DTXSID
DTXSID10343177- ChEMBL
CHEMBL1338788- UNII
- 38TGL3A00I
- EC Number
- 431-940-3、603-762-8
- Nikkaji
- J456.242I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 88,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 461
Physikochemische Eigenschaften
- Schmelzpunkt
- 114 · 114-116 °C
- Siedepunkt
- 471.4 · 471.4±28.0 °C(Predicted)
- Dichte
- 1.4466 · 1.4466 (estimate)
- Flammpunkt
- 110 ℃ · 110℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Very soluble in acetonitrile, dichloromethane or THF and less soluble in toluene.
- Aggregatzustand
- solid
- pka
- -32.45 · -32.45±0.70(Predicted)
- Farbe
- white
- BRN
- 5348902 · 5348902
- InChI
- InChI=1S/C12H10FNO4S2/c13-14(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H
- InChIKey
- RLKHFSNWQCZBDC-UHFFFAOYSA-N
- SMILES
- C1(S(N(F)S(C2=CC=CC=C2)(=O)=O)(=O)=O)=CC=CC=C1
- CAS Datenbank
- 133745 · 133745-75-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.
Warning
H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (94.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 52 reports by companies.；There are 11 notifications provided by 51 of 52 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 23-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/10371
Benzenesulfonamide, N-fluoro-N-(phenylsulfonyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Skin Irrit. 2 (96.2%)；Eye Irrit. 2 (98.1%)；STOT SE 3 (94.2%)
Regulatorische Informationen
Chemie und Industrie
Anwendungen
VerwendenN-Fluorobenzenesulfonimide fluorinates aromatics, enolates, azaenolates and carbanions in high yield. It is used for diastereoselective fluorination of Li enolates of chiral carboximides, for directed fluorination of ortho-lithiated aromatics and for a review of electrophilic N-F fluorinating agents. Asymmteric fluorinations is effected in the presence of a Pd-BINAP catalyst system at room temperature in an ionic liquid. It is a reagent employed in a palladium-catalyzed enantioselective fluorination of t-butoxycarbonyl lactones and lactams. It is also used in the electrophilic difluorination of dihalopyridines with butyl lithium and in the direct conversion of alcohols to dibenzenesulfonamides with triphenylphosphine.
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