CAS 207915-99-9 Chloro-N,N,N',N'-tetramethylformamidinium Hexafluorophosphate (HCID 10989639)

基本情報

CAS: 207915-99-9
標準SMILES: CN(C)C(Cl)=[N+](C)C.F[P-](F)(F)(F)(F)F
InChIKey: CUKNPSDEURGZCO-UHFFFAOYSA-N
分子式: C5H12ClF6N2P
平均分子量: 280.58 g/mol
単同位体質量: 280.03308201

名称と識別子

優先名称: Chloro-N,N,N',N'-tetramethylformamidinium Hexafluorophosphate
IUPAC: [chloro(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
現地名: クロロ-N,N,N',N'-テトラメチルホルムアミジニウムヘキサフルオロホスファート
英語名: Chloro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate
分子式: C5H12ClF6N2P
分子量: 280.58

名称と別名

207915-99-9Chloro-N,N,N',N'-tetramethylformamidinium hexafluorophosphateDTXSID50451023RefChem:575766DTXCID70401843627-919-5680-115-694790-35-9TCFHN,N,N',N'-Tetramethylchloroformamidinium hexafluorophosphateN-(Chloro(dimethylamino)methylene)-N-methylmethanaminium hexafluorophosphate(V)MFCD01862891

名称をさらに表示

クロロ-N,N,N',N'-テトラメチルホルムアミジニウムヘキサフルオロホスファートTetraMethylchloroforMaMidiniuM Hexafluorophosphatetetramethyluronium hexafluorophosphateTCFH N,N,N,N-TETRAMETHYLCHLOROFORMAMIDINIUM-HEXAFLUOROPHOSPHATE[chloro(dimethylamino)methylidene]-dimethylazaniumN,N,N',N'-Tetramethylchloroformamidinium-hexafluor-Tetramethylchloroformamidinium hexafluorophosphateN-[Chloro(dimethylamino)methylene]-N-methyl-methanaminium

N,N,N',N'-Tetramethylchloroformamidinium-hexafluorophosphateChloro-N,N,N',N'-tetramethyl-formamidinium Hexafluorophosphate[chloro(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphateMethanaminium, N-[chloro(dimethylamino)methylene]-N-methyl-, hexafluorophosphate(1-) (1:1)[chloro(dimethylamino)methylene]-dimethyl-ammonium hexafluorophosphate[chloro(dimethylamino)methylidene]-dimethylazanium,hexafluorophosphatetetra-methylchloroformamidinium hexafluorophosphateN,N,N inverted exclamation mark(R),N inverted exclamation mark(R)-Tetramethylchloroformamidinium-hexafluorophosphate

物性

構造計算による物性

極性表面積: 6.3 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 153

物理化学的性質

融点: 99 · 99-104 °C
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: 1 % · Soluble in water or 1% acetic acid
外見: powder to crystal
色: White to Almost white
主な用途: ペプチド合成
InChI: InChI=1S/C5H12ClN2.F6P/c1-7(2)5(6)8(3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
InChIKey: CUKNPSDEURGZCO-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(/Cl)(=[N+](\C)/C)\N(C)C
CAS データベース: 94790 · 94790-35-9(CAS DataBase Reference)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 6 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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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