tetrabutylazanium iodide

• ChemBase编号: 74452
• 分子式: C16H36IN
• 平均质量: 369.36821
• 单一同位素质量: 369.18924816
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[I-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[I-]
• InChI: InChI=1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
• InChIKey: DPKBAXPHAYBPRL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetrabutylazanium iodide
• IUPAC传统名: tetrabutylammonium ion iodide; tetrabutylammonium iodide
• 别名: 四丁基碘化铵; 四正丁基碘化铵; Tetrabutylammonium iodide; TETRA-N-BUTYLAMMONIUM HYDROXIDE, 25% AQUEOUS SOLUTION; Tetra-n-butylammonium iodide; TBAI; Tetra(but-1-yl)ammonium iodide; TETRABUTYLAMMONIUM IODIDE

登记号

• CAS号: 311-28-4; 2052-49-5
• EC号: 206-220-5
• MDL号: MFCD00011636
• Beilstein号: 3916152
• PubChem SID: 24888824; 24848477; 162039371; 24888817; 24888809
• PubChem CID: 67553

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: 12
• 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: 141-143 °C(lit.); 141-150°C; 142-148°C; 143-147 °C; 144-146 °C; 145-148°C
• 紫外吸收波长: λ: 290 nm Amax: 0.1; λ: 300 nm Amax: 0.05; λ: 320 nm Amax: 0.02; λ: 500 nm Amax: 0.02

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate, Protect from light
• 保存注意事项: Harmful/Irritant/Light Sensitive/Hygroscopic; Light Sensitive & Hygroscopic
• RTECS编号: BS5450000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; R:22
• 安全公开号: 26-36; 26-36/37; S:36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H315-H319-H335; H302-H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (AT); ≥99%; ≥99.0%; ≥99.0% (AT); 98%
• 级别: for electrochemical analysis; for ion pair chromatography; purum; reagent grade
• 适用性: corresponds to standard for filter test
• λ: 10 % in acetonitrile
• 线性分子式: (CH3CH2CH2CH2)4N(I)

详细说明

MP Biomedicals - 02156768

Crystalline

MP Biomedicals - 05219216

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 140775

包装
25, 100, 500 g in glass bottle

Sigma Aldrich - 86890

Other Notes
用于合成醚的催化剂1,2
包装
25, 100, 500 g in poly bottle

Sigma Aldrich - 86912

General description
请访问 传感器应用门户网站 了解更多信息。

参考文献

• Catalyst for the high-yield methylation of alcohols with dimethyl sulfate: Angew. Chem., 85, 868; Angew. Chem. Int. Ed., 12, 846 (1973), or the benzylation of alcohols with benzyl bromide in organic solvents: Org. Synth. Coll., 8, 34 (1993); 9, 52 (1998).
• Useful source of I^- for nucleophilic displacements, e.g. in the formation of neopentyl iodides from the triflates: J. Org. Chem., 45, 4387 (1980).
• Aliphatic and aromatic sulfonic acids are reduced to thiols in the presence of trifluoroacetic anhydride, followed by hydrolysis of the resulting trifluoroacetates: Tetrahedron Lett., 21, 1235 (1980).
• In combination with Boron trifluoride diethyl etherate, A15275, has been used in a mild, versatile cleavage of ethers: Synthesis, 274 (1985).