tetrabutylazanium bromide

• ChemBase编号: 70077
• 分子式: C16H36BrN
• 平均质量: 322.36774
• 单一同位素质量: 321.20311216
• SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[Br-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
• InChI: InChI=1S/C16H36N.BrH/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: JRMUNVKIHCOMHV-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: tetrabutylazanium bromide
• IUPAC传统名: tetrabutylammonium ion bromide; tetrabutylammonium bromide
• 别名: 四正丁基溴化铵; 四丁基溴化铵 溶液; 四丁基溴化铵; 四丁基溴化铵; Aliquat 100; Tetra-n-butylammonium bromide; Tetrabutylammonium bromide solution; Tetrabutylammonium bromide; Tetrabutylammonium bromide; Aliquat® 100; Tetra-n-butylammonium bromide; Tetrabutylammonium bromide; TBAB; Tetra-N-Butylammonium Bromide

登记号

• CAS号: 1643-19-2
• EC号: 216-699-2; 231-791-2
• MDL号: MFCD00011633
• Beilstein号: 3570983; 6882753
• PubChem SID: 24866693; 24869946; 24888786; 24888772; 24851583; 162035802
• PubChem CID: 74236
• CHEBI ID: 51993
• CHEMBL: 60696
• Chemspider ID: 66843
• 维基百科标题: Tetra-n-butylammonium_bromide

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: ethanol: soluble100 mg/mL, clear, colorless; ethanol: soluble50 mg/mL, clear, colorless to light yellow; H2O: soluble0.1 g/mL, clear, colorless
• 外观: White solid
• 熔点: 101-105 °C; 101-105°C; 102-106 °C; 102-106 °C(lit.); 103 °C; 103-104°C
• 沸点: 102 °C
• 密度: 1.039 g/mL at 25 °C; 1.15
• 折射率: n20/D 1.422
• 紫外吸收波长: λ: 240 nm Amax: 0.04; λ: 250 nm Amax: 0.03; λ: 260 nm Amax: 0.02; λ: 500 nm Amax: 0.02

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic; IRRITANT; Irritant
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 德国WGK号: 2; 3
• 危险公开号: 22-36/37/38; 36/37/38; R20 R22 R36 R37 R38
• 安全公开号: 26; 26-36; 26-36/37-60; S26 S36
• TSCA收录: false; 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• 主要危害: Harmful
• GHS危险声明: H301-H315-H319-H335; 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; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves

产品相关信息

• 纯度: >98%; ≥98.0%; ≥98.0% (AT); ≥99.0%; ≥99.0% (AT); 95+%; 98%; 98+%
• 浓度: ~50% in H2O; 50 wt. % in H2O
• 级别: ACS reagent; for electrochemical analysis; for ion pair chromatography; p.a.; puriss.; puriss. p.a.; purum; ReagentPlus®
• 适用性: corresponds to standard for filter test
• 杂质: ≤0.5% tributylamine; ≤0.5% tributylamine hydrobromide
• 产品质量级别: PREMIUM
• 品质说明: ampule
• λ: 10 % in H2O; in concentrate
• 线性分子式: (CH3CH2CH2CH2)4N(Br)

详细说明

MP Biomedicals - 02152101

Purity: >98% Phase transfer catalyst C16H36NBr MW 322.4

Sigma Aldrich - 462144

包装
1 L in poly bottle

Sigma Aldrich - 86846

包装
安瓿瓶装浓缩液，用于 6×1L 0.005M 即用型溶液

Sigma Aldrich - 86836

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

Sigma Aldrich - 81789

法律信息
Aliquat 注册商标 BASF

Sigma Aldrich - 193119

包装
25, 100, 500 g in poly bottle
5 kg in fiber drum
5kg、25kg 开口纤维桶包装；25g、100g、500g 塑料瓶包装
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 426288

包装
100 g in poly bottle
25 g in glass bottle

参考文献

• K salts of ω-bromocarboxylic acids can be cyclized to lactones under effectively "high-dilution" conditions by extracting into toluene in the presence of a small amount of catalyst. The 16-membered ring lactone was formed in 92% yield: J. Org. Chem., 48, 1533 (1983).
• Primary alkyl chlorides can be converted to alcohols in excellent yield by phase-transfer reaction with sodium formate and hydrolysis of the resulting formate esters: Synthesis, 763 (1986).
• Has been used as an "ionic liquid" in the regioselective O-alkylation of ambident nucleophiles: Tetrahedron Lett., 33, 4435 (1992). A method is described whereby the "solvent" can be recovered quantitatively. A semi-molten mixture with KF or CsF has been found to be an effective system for fluorodehalogenation of, e.g., benzyl bromide: J. Fluorine Chem., 73, 185 (1995).
• Effective catalyst for amination reactions of alkyl or activated aryl halides, by increasing the solubility of ammonia in organic media: J. Chem. Soc., Chem. Commun., 267 (1987).
• An improved procedure for the Curtius rearrangement involves reaction of acid chlorides with azide ion under phase-transfer conditions: Synthesis, 38 (1983).
• Aromatic carboxamides undergo N-alkylation with alkyl halides using KOH under solvent-free conditions: Synth. Commun., 22, 1661 (1992).
• Phase-transfer catalyst of wide application. Some illustrative examples are given below. See also Appendix 2.
• ?-Lactones are formed by the cyclization of ?-bromoacids under phase-transfer conditions: Chem. Pharm. Bull., 29, 1063 (1981).