2-(ペンタフルオロフェニル)-1,1,3,3-テトラメチルウロニウム

Pentafluorphenol-tetramethyluronium hexafluorophosphat

HCID 15840204

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基本情報

CAS: 206190-14-9
標準SMILES: CN(C)C(Oc1c(F)c(F)c(F)c(F)c1F)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIKey: VVQFDAVRRJCRJO-UHFFFAOYSA-N
分子式: C11H12F11N2OP
平均分子量: 428.18 g/mol
単同位体質量: 428.05116005

名称と識別子

優先名称: Pentafluorphenol-tetramethyluronium hexafluorophosphat
IUPAC: [dimethylamino-(2,3,4,5,6-pentafluorophenoxy)methylidene]-dimethylazanium hexafluorophosphate
現地名: 2-(ペンタフルオロフェニル)-1,1,3,3-テトラメチルウロニウム
英語名: Pentafluorophenol-tetramethyluronium hexafluorophosphate
分子式: C11H12F11N2OP
分子量: 428.18

名称と別名

Pentafluorphenol-tetramethyluronium hexafluorophosphatRefChem:859823696-353-9206190-14-9Pftu1,1,3,3-Tetramethyl-2-(perfluorophenyl)isouronium hexafluorophosphate(V)pentafluorphenol-tetramethyluronium hexafluorophosphate[dimethylamino-(2,3,4,5,6-pentafluorophenoxy)methylidene]-dimethylazanium;hexafluorophosphateMFCD04973269PFTU, Pentafluorphenol-tetramethyluronium hexafluorophosphate(Dimethylamino)dimethyl(2,3,4,5,6-pentafluorophenoxy)methanaminium hexafluorophosphateMethanaminium, (dimethylamino)dimethyl(2,3,4,5,6-pentafluorophenoxy)-, hexafluorophosphate(1-) (1:1)

名称をさらに表示

2-(ペンタフルオロフェニル)-1,1,3,3-テトラメチルウロニウム[(ジメチルアミノ)(2,3,4,5,6-ペンタフルオロフェノキシ)メチリデン]ジメチルアザニウムPFTU Pentafluorphenol-tetraMethyluroniuM hexafluoroPentafluorophenol-tetramethyluronium hexafluorophosphateO-(Pentafluorphenyl)tetramethyluronium HexafluorophosphatePFTU Pentafluorphenol-tetraMethyluroniuM hexafluorophosphatPentafluorphenol-tetramethyluronium hexafluorophosphat(PFTU)

[dimethylamino-(2,3,4,5,6-pentafluorophenoxy)methylene]-dimethyl-ammonium;hexafluorophosphateMethanaminium,C11H12F11N2OPSCHEMBL29349630DTXSID70578786VVQFDAVRRJCRJO-UHFFFAOYSA-NAKOS027250996[dimethylamino-(2,3,4,5,6-pentafluorophenoxy)methylidene]-dimethylazanium,hexafluorophosphate

データベース識別子

CAS: 206190-14-9
PubChem CID: 15840204
DTXSID: DTXSID70578786
EC Number: 696-353-9

物性

構造計算による物性

極性表面積: 15.5 Å²
水素結合供与体数: 0
水素結合受容体数: 13
回転可能結合数: 3
重原子数: 26
形式電荷: 0
複雑度: 382

物理化学的性質

融点: 175 · 175-180°
貯蔵温度: 2 · 2-8°C, sealed storage, away from moisture
InChI: InChI=1S/C11H12F5N2O.F6P/c1-17(2)11(18(3)4)19-10-8(15)6(13)5(12)7(14)9(10)16;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
InChIKey: VVQFDAVRRJCRJO-UHFFFAOYSA-N
SMILES: C1(=C(C(F)=C(C(=C1F)F)F)F)O/C(/N(C)C)=[N+](\C)/C.[P-](F)(F)(F)(F)(F)F

化学的性質

化学的特性White to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.