3-ethyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 301293
• 分子式: C7H13F6N2P
• 平均质量: 270.1557002
• 单一同位素质量: 270.07205438
• SMILES: F[P-](F)(F)(F)(F)F.C(C)[n+]1c(n(cc1)C)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CC[n+]1ccn(c1C)C
• InChI: InChI=1S/C7H13N2.F6P/c1-4-9-6-5-8(3)7(9)2;1-7(2,3,4,5)6/h5-6H,4H2,1-3H3;/q+1;-1
• InChIKey: XLKYEJKYOZNSDQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-ethyl-1,2-dimethyl-1H-imidazol-3-ium; hexafluoro-λ^5-phosphanuide
• IUPAC传统名: 1-ethyl-2,3-dimethylimidazol-1-ium hexafluorophosphate
• 别名: 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate; 1-ethyl-2,3-dimethylimidazolium hexafluorophosphate

登记号

• CAS号: 292140-86-4
• MDL号: MFCD08458503

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.4739072
• LogD (pH = 7.4): -3.4739072
• Log P: -3.4739072
• 摩尔折射率: 48.8077 cm^3
• 极化性: 14.520109 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 98%