1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)

HCID 2737329

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 162241-33-0
Standard-SMILES: F[B-](F)(F)F.F[B-](F)(F)F.O[N+]12CC[N+](F)(CC1)CC2
InChIKey: DRMMNFGYCLJZKD-UHFFFAOYSA-N
Summenformel: C6H13B2F9N2O
Durchschnittliche Molmasse: 321,79 g/mol
Monoisotopische Masse: 322,1070268

Namen und Bezeichner

Bevorzugter Name: 1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
IUPAC: 1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane ditetrafluoroborate
Englischer Name: 1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
Summenformel: C6H13B2F9N2O
Molmasse: 321.79

Namen und Synonyme

162241-33-01-FLUORO-4-HYDROXY-1,4-DIAZONIABICYCLO[2.2.2]OCTANE BIS(TETRAFLUOROBORATE)172090-26-51-Fluoro-4-hydroxy-1,4-diazabicyclo[2.2.2]octane-1,4-diium tetrafluoroborate1-fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane;ditetrafluoroborate1-fluoro-4-hydroxy-1,4-diazabicyclo[2.2.2]octane-1,4-diium; bis(tetrafluoroboranuide)AccufluorNFThAccufluor; Accufluor NFThSCHEMBL561010DTXSID10371995Q2643325

Weitere Namen anzeigen

ACCUFLUOR(TM)4-fluoro-1-hydroxy-1,4-diazoniabicyclo[2.2.2]octane1-fluoro-4-hydroxy-1,4-diazoniabicyclo-octane bis(bf4)1-FLUORO-4-HYDROXY-1,4-DIAZONIABICYCLO-O CTANE BIS(BF4) ON AN-FLUORO-N'-HYDROXYTRIETHYLENEDIAMMONIUM BIS(TETRAFLUOROBORATE)4-Hydroxy-1-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)1-FLUORO-4-HYDROXY-1,4-DIAZABICYCLO[2.2.2]OCTANE-1,4-DIIUM DITETRAFLUOROBORATE1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate) on aluminum oxide

1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octane bis(tetrafluoroborate)1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2,2,2]octanebis(tetrafluoroborate)1-Fluoro-4-hydroxy-1,4-diazabicyclo[2.2.2]octane-1,4-diium bis[tetrafluoridoborate(1-)]1-fluoro-4-hydroxy-1,4-diazoniabicyclo-[2.2.2]octane bis(tetrafluoroborate)1-hydroxyl-4-fluoro- 1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)1-hydroxyl-4-fluoro-1,4-diazoniabicyclo [2.2.2]octane bis(tetrafluoroborate)1-hydroxyl-4-fluoro-1,4-diazoniabicyclo[2.2.2 ]octane bis(tetrafluoroborate)1-hydroxyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)

Datenbank-Bezeichner

CAS: 162241-33-0、172090-26-5
PubChem CID: 2737329
DTXSID: DTXSID10371995
EC Number: 629-003-0、803-259-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 12
Frei drehbare Bindungen: 0
Schwere Atome: 20
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Aggregatzustand: solid
InChI: 1S/C6H13FN2O.2BF4/c7-8-1-4-9(10,5-2-8)6-3-8;2*2-1(3,4)5/h10H,1-6H2;;/q+2;2*-1
InChIKey: DRMMNFGYCLJZKD-UHFFFAOYSA-N
SMILES: F[B-](F)(F)F.F[B-](F)(F)F.O[N+]12CC[N+](F)(CC1)CC2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H201 (90.5%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H400 (90.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (90.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P210, P230, P240, P250, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, P370+P380, P372, P373, P391, P401, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and Categories · 2 Einträge

Expl. 1.1 (90.5%)；Acute Tox. 4 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT RE 2 (100%)；Aquatic Acute 1 (90.5%)；Aquatic Chronic 1 (90.5%)

Expl. 1.1 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1STOT RE 2