tetraethylazanium heptadecafluorooctane-1-sulfonate

• ChemBase编号: 100762
• 分子式: C16H20F17NO3S
• 平均质量: 629.3727544
• 单一同位素质量: 629.08924425
• SMILES: [N+](CC)(CC)(CC)CC.S(=O)(=O)([O-])C(C(C(F)(C(F)(F)C(F)(F)C(C(C(F)(F)F)(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.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8HF17O3S.C8H20N/c9-1(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;1-5-9(6-2,7-3)8-4/h(H,26,27,28);5-8H2,1-4H3/q;+1/p-1
• InChIKey: JHDXAQHGAJXNBY-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetraethylazanium heptadecafluorooctane-1-sulfonate
• IUPAC传统名: tetraethylammonium heptadecafluorooctane-1-sulfonate; tetraethylammonium perfluorooctane sulfonate
• 别名: 全氟辛烷磺酸 四乙基铵盐; 十七氟辛烷磺酸 四乙基铵盐; Tetraethylammonium perfluorooctanesulphonate 98%; Perfluorooctanesulfonic acid tetraethylammonium salt; Heptadecafluorooctanesulfonic acid tetraethylammonium salt

登记号

• CAS号: 56773-42-3
• EC号: 260-375-3
• MDL号: MFCD00066497
• Beilstein号: 6470030
• PubChem SID: 24887176; 24862502; 162087912
• PubChem CID: 92531

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: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 170-190°C; 183-190 °C; 184-190 °C(lit.)

安全信息

• 保存注意事项: Toxic
• RTECS编号: KH3154250
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 2
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 25
• 安全公开号: 45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥98.0% (T); 98%
• 级别: purum
• 线性分子式: CF3(CF2)6CF2SO3N(C2H5)4

详细说明

Sigma Aldrich - 365289

包装
5, 25 g in glass bottle