tetrabutylazanium trifluoromethanesulfonate

• ChemBase编号: 99155
• 分子式: C17H36F3NO3S
• 平均质量: 391.5328496
• 单一同位素质量: 391.23679968
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.S(=O)(=O)(C(F)(F)F)[O-]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.CCCC[N+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1
• InChIKey: YNJQKNVVBBIPBA-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetrabutylazanium trifluoromethanesulfonate
• IUPAC传统名: tetrabutylammonium ion triflate; tetrabutylammonium triflate
• 别名: 四正丁基三氟甲磺酸铵; 三氟甲磺酸 四丁基铵盐; 四正丁铵三氟甲磺酸盐; 四丁基三氟甲磺酸铵; Tetra-n-butylammonium triflate; Tetra-n-butylammonium trifluoromethanesulfonate; Tetrakis(but-1-yl)ammonium triflate; Tetrakis(but-1-yl)ammonium trifluoromethanesulphonate 99%; Tetrabutylammonium triflate; Trifluoromethanesulfonic acid tetrabutylammonium salt; Tetrabutylammonium trifluoromethanesulfonate

登记号

• CAS号: 35895-70-6
• EC号: 252-783-5
• MDL号: MFCD00042585
• Beilstein号: 4172978
• PubChem SID: 24888807; 162085447
• PubChem CID: 2733306

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.3234289
• LogD (pH = 7.4): 1.3234289
• Log P: 1.3234289
• 摩尔折射率: 91.3961 cm^3
• 极化性: 31.734425 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: methanol: soluble0.1 g/mL, clear, colorless
• 熔点: 110-114 °C; 112-113 °C(lit.); 112-113°C; 112-115°C; 113-116 °C

安全信息

• 保存注意事项: Hygroscopic; Irritant/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: 26-36; 26-37
• TSCA收录: 否
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99.0% (T); 99%
• 级别: electrochemical grade; puriss.
• 线性分子式: (CH3CH2CH2CH2)4N(CF3SO3)

详细说明

Apollo Scientific Ltd - PC6636

JOC., 37, 3968 (1972): supporting electrolyte in aproticsolvents for organic electrochemistry

Sigma Aldrich - 86888

Other Notes
与 NBS 共同用于活化硫苷的试剂1
包装
10, 50 g in glass bottle

Sigma Aldrich - 86895

Application
无氧化性的支持电解质

参考文献

• Supporting electrolyte for organic electrochemistry in aprotic solvents, having good solubility and a high degree of chemical inertness: J. Org. Chem., 37, 3968 (1972).