CAS 162241-33-0 1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (HCID 2737329)

基本情報

CAS: 162241-33-0
標準SMILES: F[B-](F)(F)F.F[B-](F)(F)F.O[N+]12CC[N+](F)(CC1)CC2
InChIKey: DRMMNFGYCLJZKD-UHFFFAOYSA-N
分子式: C6H13B2F9N2O
平均分子量: 321.79 g/mol
単同位体質量: 322.1070268

名称と識別子

優先名称: 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
英語名: 1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)
分子式: C6H13B2F9N2O
分子量: 321.79

名称と別名

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

名称をさらに表示

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

物性

構造計算による物性

極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 12
回転可能結合数: 0
重原子数: 20
形式電荷: 0
複雑度: 156

物理化学的性質

外見: 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

安全と法規制

GHS分類

GHS Classification · 6 件

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.