1-butyl-3-methyl-1H-imidazol-3-ium; hexafluoro-$l^{5}-phosphanuide

• ChemBase编号: 11867
• 分子式: C8H15F6N2P
• 平均质量: 284.1822802
• 单一同位素质量: 284.08770444
• SMILES: c1[n+](cn(c1)CCCC)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCn1cc[n+](c1)C
• InChI: InChI=1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1
• InChIKey: IXQYBUDWDLYNMA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-butyl-3-methyl-1H-imidazol-3-ium; hexafluoro-$l^{5}-phosphanuide; 1-butyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 1-butyl-3-methylimidazolium; hexafluoro-$l^{5}-phosphanuide; C4mim; hexafluoro-$l^{5}-phosphanuide; 1-butyl-3-methylimidazolium hexafluorophosphate; 1-butyl-3-methylimidazolium; hexafluoro-λ^5-phosphanuide
• 别名: 1-丁基-3-甲基咪唑六氟磷酸盐; 1-正-丁基-3-甲基咪唑鎓六氟磷酸盐; 1-Butyl-3-methylimidazolium hexafluorophosphate; 1-Butyl-3-methylimidazol-3-ium hexafluorophosphate 97%; BMIMPF6; 1-Butyl-3-methylimidazolium hexafluorophosphate; BMIM-PF₆; 1-n-Butyl-3-methylimidazolium hexafluorophosphate; 1-Butyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate(V)

登记号

• CAS号: 174501-64-5
• EC号: 000-000-0
• MDL号: MFCD03093295
• 默克索引号: 141581
• PubChem SID: 160975174; 24850922; 24886139
• PubChem CID: 2734174
• Chemspider ID: 2015930
• 维基百科标题: 1-Butyl-3-methylimidazolium_hexafluorophosphate

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.1459775
• LogD (pH = 7.4): -2.1459775
• Log P: -2.1459775
• 摩尔折射率: 42.7263 cm^3
• 极化性: 16.443125 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: insoluble in water
• 外观: Light yellow liquid
• 熔点: 6-7°C; 8°C; 8-10°C
• 沸点: >340(dec.)°C; >350°C; >350°C
• 密度: 1.365; 1.38; 1.38 g/mL (20 °C); 1.38 g/mL at 20 °C(lit.)
• 折射率: 1.4115; n20/D 1.41; n20/D 1.411

安全信息

• 保存注意事项: IRRITANT; Irritant/Hygroscopic/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥97.0% (HPLC); ≥98.5% (T); 98%; 98+%; 99%
• 级别: for catalysis
• 杂质: ≤0.02% water
• 痕量阴离子: bromide (Br-): ≤10 mg/kg; chloride (Cl-): ≤10 mg/kg; nitrate (NO3-): ≤10 mg/kg; phosphate (PO43-): ≤30 mg/kg; sulfate (SO42-): ≤10 mg/kg
• Empirical Formula (Hill Notation): C8H15F6N2P

详细说明

Apollo Scientific Ltd - PC7732

Ionic Liquid

Sigma Aldrich - 70956

Other Notes
用于许多环境友好反应的离子液体1,2,3
包装
5, 50, 250 g in glass bottle

Sigma Aldrich - 18122

包装
5, 50 g in glass bottle
Application
Ionic Liquids for Catalysis

参考文献

• A copper-free Sonogashira coupling of terminal alkynes with aryl iodides, catalyzed by trans-Dichlorobis(triphenylphosphine)palladium(II), 10491, has been adapted to a microflow system for efficient catalyst recycling: Org. Lett., 4, 1691 (2002).
• Ionic liquid.
• For use in dihydroxylation of alkenes with Osmium(VIII) oxide, 12103, facilitating the reuse of the Os catalyst, see: Org. Lett., 4, 2197 (2002).
• Recyclable medium for oxidation of alcohols, catalyzed by TEMPO, A12733, and CuCl, to give aldehydes and ketones chemoselectively under mild conditions: Org. Lett., 4, 1507 (2002).
• Heck reactions with aryl halides can be carried out with controlled microwave heating: J. Org. Chem., 67, 6243 (2002).