1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate [Fluorinating Reagent]

HCID 2724575CAS 107264-00-6

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Grundinformationen

Standard-SMILES: Cc1cc(C)[n+](F)c(C)c1.O=S(=O)([O-])C(F)(F)F
InChIKey: PRIGFEJKMMRJSF-UHFFFAOYSA-M
Summenformel: C9H11F4NO3S
Durchschnittliche Molmasse: 289,25 g/mol
Monoisotopische Masse: 289,03957709

Namen und Bezeichner

Bevorzugter Name: 1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate [Fluorinating Reagent]
IUPAC: 1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate
Englischer Name: 1-FLUORO-2,4,6-TRIMETHYLPYRIDINIUM TRIFLATE
Summenformel: C9H11F4NO3S
Molmasse: 289.25

Namen und Synonyme

1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate [fluorinating reagent]1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate (Fluorinating Reagent)RefChem:432754672-581-4107264-00-61-Fluoro-2,4,6-trimethylpyridinium triflate1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonateN-Fluoro-2,4,6-trimethylpyridinium triflateMFCD000675251-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate1-Fluoro-sym-collidinium triflate

Weitere Namen anzeigen

Florinate FP-T 300FP-T 300TIMTEC-BB SBB002990F-PLUS T300 (FP-T300)Onoda Florinate FP-T 300

N-Fluoro-2,4,6-trimethylpyridinium trifluoromethanesulphonate1-fluoro-2,4,6-trimethylpyridine, trifluoromethanesulfonic acid1-fluoro-2SCHEMBL64156C9H11F4NO3SDTXSID40369163SBB002990AKOS024282417

Datenbank-Bezeichner

CAS: 107264-00-6
PubChem CID: 2724575
DTXSID: DTXSID40369163
EC Number: 672-581-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 69,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 0
Schwere Atome: 18
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 162 · 162-165 °C(lit.)
Dichte: 1.3855 · 1.3855 (estimate)
storage temp.: 2 · 2-8°C
Aggregatzustand: Powder
Farbe: white to pale-yellow
BRN: 4777118 · 4777118
InChI: InChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey: PRIGFEJKMMRJSF-UHFFFAOYSA-M
SMILES: C(F)(F)(F)S([O-])(=O)=O.[N+]1(F)C(C)=CC(C)=CC=1C
CAS Datenbank: 107264 · 107264-00-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN 3261 8/PG 2
hs_code: 29333990
risk_code: 34
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-27-28-36/37/39-45-36
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-fluoropyridinium triflate salts offer a tunable fluorinating system; electronic nature of the substituents on the ring dictates the potency and selectivity of the reagent. Efficient fluorination of various aromatics, carbanions, vinyl esters, alkyls, and enamines.