tetraethylazanium 4-methylbenzene-1-sulfonate

• ChemBase编号: 145797
• 分子式: C15H27NO3S
• 平均质量: 301.44478
• 单一同位素质量: 301.17116473
• SMILES: CC[N+](CC)(CC)CC.Cc1ccc(cc1)S(=O)(=O)[O-]
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)[O-].CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.C7H8O3S/c1-5-9(6-2,7-3)8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: QKFFSWPNFCXGIQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetraethylazanium 4-methylbenzene-1-sulfonate
• IUPAC传统名: tetraethylammonium tosylate
• 别名: 对甲基苯磺酸 四乙基铵盐; 四乙基对甲苯磺酸铵; p-Toluenesulfonic acid tetraethylammonium salt; Tetraethylammonium p-toluenesulfonate

登记号

• CAS号: 733-44-8
• EC号: 211-992-1
• MDL号: MFCD00011831
• Beilstein号: 4303354
• PubChem SID: 24888416; 162239999; 24848156; 24888419
• PubChem CID: 101846

理论计算性质

• Acid pKa: -2.1372879
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.7088225
• LogD (pH = 7.4): -0.7088248
• Log P: 1.6675739
• 摩尔折射率: 40.6 cm^3
• 极化性: 16.615282 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: acetonitrile: soluble0.1 g/mL, clear, colorless
• 熔点: ~105 °C; 100-106°C; 110-113 °C; 110-114 °C(lit.)

安全信息

• 保存注意事项: Hygroscopic
• 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: 是
• 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: ≥98.0% (T); ≥99.0% (T); 97%; 98% (dry wt.), may cont. up to 2% water
• 级别: electrochemical grade; puriss.; purum
• 杂质: ≤2% water
• 堆密度: 0.480 g/cm3
• 线性分子式: (C2H5)4N(CH3C6H4SO3)

详细说明

Sigma Aldrich - 134473

包装
100, 500 g in poly bottle

Sigma Aldrich - 86654

Other Notes
支持电解质1

参考文献

• Has been used as electrolyte, in MeOH, for the anodic oxidative cleavage of diols to carbonyl compounds: J. Am. Chem. Soc., 97, 2546 (1975), and as a supporting electrolyte in the reductive cyclization of non-conjugated olefinic ketones to cyclanols: J. Am. Chem. Soc., 100, 545 (1978).