N-Fluorobenzenesulfonimide (HCID 588007)

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 Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 88,3 Å²
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

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 2 Einträge

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 · 2 Einträge

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

Regulatory Information · 2 Einträge

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

Sicherheitsdaten

F: 10
wgk: 3
tsca: No
hs_code: 29242990
risk_code: 36/37/38
hazard_code: Xi,O
hazard_note: Oxidising Agent
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

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.