Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1)

HCID 2724576

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Grundinformationen

CAS: 107263-95-6
Standard-SMILES: F[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIKey: JFZMMCYRTJBQQI-UHFFFAOYSA-M
Summenformel: C6H5F4NO3S
Durchschnittliche Molmasse: 247,17 g/mol
Monoisotopische Masse: 246,9926269

Namen und Bezeichner

Bevorzugter Name: Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1)
IUPAC: 1-fluoropyridin-1-ium;trifluoromethanesulfonate
Englischer Name: 1-Fluoropyridinium triflate
Summenformel: C6H5F4NO3S
Molmasse: 247.17

Namen und Synonyme

107263-95-6RefChem:870837Pyridinium, 1-fluoro-, 1,1,1-trifluoromethanesulfonate (1:1)1-Fluoropyridinium triflateN-fluoropyridinium triflate1-FLUOROPYRIDINIUMTRIFLATEN-Fluoropyridinium trifluoromethanesulfonate1-Fluoropyridinium trifluoromethanesulfonate1-fluoropyridin-1-ium;trifluoromethanesulfonateMFCD000134581-fluoropyridin-1-ium trifluoromethanesulfonate1-Fluoropyridinium triflate, 99%

Weitere Namen anzeigen

1-fluoropyridin-1-iumF-PLUS T500 (FP-T500)N-Fluoropyridinium triflate,95%1-Fluoropyridinium triflate 99%1-FLUOROPYRIDINIUM TRIFLATE, TECHN-FluoropyridiniuM triflate, 95% 500MG

AKOS015853076CS-0105685D906591-Fluoropyridi1-fluoranylpyridin-1-iumFT-0642636C6H5F4NO3SSCHEMBL65052

Datenbank-Bezeichner

CAS: 107263-95-6
PubChem CID: 2724576
DTXSID: DTXSID00369164
EC Number: 626-610-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 69,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 195

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-186 °C(lit.)
Dichte: 1.5493 · 1.5493 (estimate)
storage temp.: 0 · 0-6°C
Aggregatzustand: Crystalline Powder or Needles
Farbe: White to off-white
Wasserlöslichkeit: Reacts with water.
BRN: 4222821 · 4222821
InChI: 1S/C5H5FN.CHF3O3S/c6-7-4-2-1-3-5-7;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1
InChIKey: JFZMMCYRTJBQQI-UHFFFAOYSA-M
SMILES: F[n+]1ccccc1.[O-]S(=O)(=O)C(F)(F)F
CAS Datenbank: 107263 · 107263-95-6(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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPyridinium, 1-fluoro-, salt with trifluoromethanesulfonic acid (1:1): Does not have an individual approval but may be used under an appropriate group standard

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