tetrabutylazanium heptadecafluorooctane-1-sulfonate

• ChemBase编号: 152522
• 分子式: C24H36F17NO3S
• 平均质量: 741.5853944
• 单一同位素质量: 741.21444476
• SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.C8HF17O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h5-16H2,1-4H3;(H,26,27,28)/q+1;/p-1
• InChIKey: MUOQTHSUZGSHGW-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetrabutylazanium heptadecafluorooctane-1-sulfonate
• IUPAC传统名: tetrabutylammonium perfluorooctane sulfonate
• 别名: 全氟辛烷磺酸 四丁基铵盐; 全氟辛烷磺酸四丁基铵; 十七氟辛烷磺酸 四丁基铵盐; 十七氟辛磺酸四丁基铵; Heptadecafluorooctanesulfonic acid tetrabutylammonium salt; Perfluorooctanesulfonic acid tetrabutylammonium salt; Tetrabutylammonium perfluorooctanesulfonate; Tetrabutylammonium heptadecafluorooctanesulfonate

登记号

• CAS号: 111873-33-7
• MDL号: MFCD00270129
• PubChem SID: 162246667; 24888823
• PubChem CID: 16218638

理论计算性质

• Acid pKa: -3.3242528
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.0534294
• LogD (pH = 7.4): 3.0534291
• Log P: 5.4298277
• 摩尔折射率: 49.8572 cm^3
• 极化性: 20.81871 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 20
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: ≥95.0% (H-NMR)
• 线性分子式: (CH3CH2CH2CH2)4N[CF3(CF2)7SO3]

详细说明

Sigma Aldrich - 86911

Other Notes
离子液体1,2
包装
5 mL in glass bottle