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

• ChemBase编号: 98022
• 分子式: C10H19F6N2P
• 平均质量: 312.2354402
• 单一同位素质量: 312.11900457
• SMILES: n1(c[n+](cc1)C)CCCCCC.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCn1cc[n+](c1)C
• InChI: InChI=1S/C10H19N2.F6P/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-7(2,3,4,5)6/h8-10H,3-7H2,1-2H3;/q+1;-1
• InChIKey: YPWSSSRXUOQNMQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-hexyl-3-methyl-1H-imidazol-3-ium; hexafluoro-$l^{5}-phosphanuide; 1-hexyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 3-hexyl-1-methylimidazol-1-ium; hexafluoro-$l^{5}-phosphanuide; 1-hexyl-3-methylimidazolium hexafluorophosphate
• 别名: 1-己基-3-甲基咪唑六氟磷酸盐; HMIMPF6; 1-(Hex-1-yl)-3-methyl-1H-imidazol-3-ium hexafluorophosphate; 1-Hexyl-3-methylimidazolium hexafluorophosphate

登记号

• CAS号: 304680-35-1
• MDL号: MFCD03093296
• Beilstein号: 8955409
• PubChem SID: 24889211; 162084495
• PubChem CID: 2734175

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.2568401
• LogD (pH = 7.4): -1.2568401
• Log P: -1.2568401
• 摩尔折射率: 51.9283 cm^3
• 极化性: 20.132729 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 密度: 1.419
• 折射率: n20/D 1.419

安全信息

• 保存注意事项: Irritant/Moisture Sensitive/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
• 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
• 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)
• electrochemical window: 5.5 V
• Empirical Formula (Hill Notation): C10H19F6N2P

详细说明

Sigma Aldrich - 89320

Other Notes
应用于芳香化合物的 Friedel-Crafts 烷基化反应的离子液体；1盐的极性。2
包装
5 g in poly tube
50 g in poly bottle