3-butyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-$l^{5}-phosphanuide

• ChemBase编号: 93642
• 分子式: C9H17F6N2P
• 平均质量: 298.2088602
• 单一同位素质量: 298.1033545
• SMILES: [n+]1(c(C)n(C)cc1)CCCC.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCC[n+]1ccn(c1C)C
• InChI: InChI=1S/C9H17N2.F6P/c1-4-5-6-11-8-7-10(3)9(11)2;1-7(2,3,4,5)6/h7-8H,4-6H2,1-3H3;/q+1;-1
• InChIKey: JWFPQAXAGSAKRF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-butyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-$l^{5}-phosphanuide; 3-butyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 1-butyl-2,3-dimethylimidazol-1-ium; hexafluoro-$l^{5}-phosphanuide; 1-butyl-2,3-dimethylimidazol-1-ium hexafluorophosphate
• 别名: 1,2-Dimethyl-3-butylimidazolium hexafluoro phosphate; 1-butyl-2,3-dimethylimidazolium hexafluorophosphate

登记号

• CAS号: 227617-70-1
• MDL号: MFCD04039211
• PubChem SID: 162080327
• PubChem CID: 11243457

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.5068161
• LogD (pH = 7.4): -2.5068161
• Log P: -2.5068161
• 摩尔折射率: 57.9327 cm^3
• 极化性: 18.207926 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

• 熔点: 38-40°C
• 密度: 1.2416
• 折射率: 1.423

安全信息

• 保存注意事项: Irritant/Hygroscopic/Store under Argon

产品相关信息

• 纯度: 98%