CAS 311-28-4|CAS 2052-49-5|tetrabutylammonium ion iodide|TETRA-N-BUTYLAMMONIUM HYDROXIDE, 25% AQUEOUS SOLUTION|tetrabutylazanium iodide|Tetrabutylammonium iodide|tetrabutylammonium iodide|TBAI|四丁基...

基本信息

化学结构

分子式

C₁₆H₃₆IN

分子量

369.36821

精确质量

369.18924816

电荷

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

Canonic Smiles

CCCC[N+](CCCC)(CCCC)CCCC.[I-]

Isomeric Smiles

[N+](CCCC)(CCCC)(CCCC)CCCC.[I-]

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.3234289

LogD (pH = 7.4)

1.3234289

Log P

1.3234289

摩尔折射率

91.3961

极化性

31.734425

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

tetrabutylammonium ion iodide tetrabutylammonium iodide

别名

TETRA-N-BUTYLAMMONIUM HYDROXIDE, 25% AQUEOUS SOLUTIONTetrabutylammonium iodideTBAI四丁基碘化铵TETRABUTYLAMMONIUM IODIDE四正丁基碘化铵Tetra(but-1-yl)ammonium iodideTetra-n-butylammonium iodide

IUPAC标准名

tetrabutylazanium iodide

名称和标识

数据登录号

CAS号

311-28-42052-49-5

EC号

206-220-5

Beilstein号

3916152

PubChem SID

24888809248888172484847716203937124888824

MDL号

MFCD00011636

PubChem CID

67553

数据登录号

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

MP Biomedicals

02156768

Crystalline

05219216

MP Biomedicals Rare Chemical collection

Sigma Aldrich

140775

包装
25, 100, 500 g in glass bottle

86890

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

86912

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

描述信息

参考文献

PubChem文献

数据源提供

• 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).

• Useful source of I^- for nucleophilic displacements, e.g. in the formation of neopentyl iodides from the triflates: J. Org. Chem., 45, 4387 (1980).

• 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).

• In combination with Boron trifluoride diethyl etherate, A15275, has been used in a mild, versatile cleavage of ethers: Synthesis, 274 (1985).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

tetrabutylammonium ion iodide tetrabutylammonium iodide

别名

IUPAC标准名

tetrabutylazanium iodide

数据登录号

CAS号

311-28-42052-49-5

EC号

206-220-5

Beilstein号

3916152

PubChem SID

24888809248888172484847716203937124888824

MDL号

PubChem CID

描述信息

Crystalline

MP Biomedicals Rare Chemical collection

Sigma Aldrich

140775

包装
25, 100, 500 g in glass bottle

86890

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

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

PubChem文献

数据源提供

• Useful source of I^- for nucleophilic displacements, e.g. in the formation of neopentyl iodides from the triflates: J. Org. Chem., 45, 4387 (1980).

• In combination with Boron trifluoride diethyl etherate, A15275, has been used in a mild, versatile cleavage of ethers: Synthesis, 274 (1985).

生物活性

PubChem BioAssay

化合物性质

化合物信息

ID:74452