CAS 10026-11-6|Zirconium(IV) chloride|四氯化锆|Tetrachlorozirconium|Zirconium(IV) chloride|tetrachlorozirconium|zirconium(IV) chloride|Zirconium tetrachloride|氯化锆(IV)|ZrCl4|Tetrachlorozirconium|Z...

基本信息

化学结构

分子式

Cl₄Zr

分子量

233.036

精确质量

229.78011472

电荷

InChI

InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4

InChIKey

DUNKXUFBGCUVQW-UHFFFAOYSA-J

Canonic Smiles

Cl[Zr](Cl)(Cl)Cl

Isomeric Smiles

Cl[Zr](Cl)(Cl)Cl

计算属性

JChem

LogD (pH = 7.4)

2.54

LogD (pH = 5.5)

2.54

Log P

2.54

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

极化表面积

0.00

极化性

11.96

摩尔折射率

24.55

LOG S

-1.86

数据来源

名称和标识

别名

Zirconium(IV) chloride四氯化锆TetrachlorozirconiumZirconium(IV) chlorideZirconium tetrachloride氯化锆(IV)ZrCl4TetrachlorozirconiumZirconium(IV) chloridezirconium tetrachlorideZirconium chloride

IUPAC标准名

tetrachlorozirconium

IUPAC传统名

zirconium(IV) chloride zirconium chloride

名称和标识

数据登录号

PubChem SID

248529622488341424861912162224535223443035

CAS号

EC号

MDL号

Chemspider ID

维基百科标题

Zirconium(IV)_chloride

默克索引号

1410174

PubChem CID

24817

PubMed文献链接

121898601957258718387331215268492300767722545205

Reaxys Registry

ACToR数据库

SureChEMBL数据库

CHEBI ID

CompTox数据库

数据登录号

化合物性质

产品相关信息

化合物性质

分子相关蛋白质

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分子图谱

暂无数据

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描述信息

Wikipedia

Zirconium(IV)_chloride

Sigma Aldrich

647640

包装
5, 25 g in ampule

357405

Application
应用于有机锆化学。1活化四氢吡咯以提高通过修正的波沃反应转化成相应的 α,α-二甲胺的转化率。2
包装
10, 100 g in glass bottle

221880

Application
活化四氢吡咯以提高通过修正的波沃反应转化成相应的 α,α-二甲胺的转化率。1
适用于核反应堆。
包装
5, 100, 500 g in glass bottle

ChEBI

CHEBI:77566

A zirconium coordination entity comprising four chlorine atoms bound to a central zirconium atom.

描述信息

参考文献

PubChem文献

数据源提供

• Catalyzes the trans-hydrostannylation of acetylenes with Tri-n-butyltin hydride, A13298: J. Chem. Soc., Chem. Commun., 2405 (1995); J. Org. Chem., 61, 4568 (1996). Allylstannanes also add trans-selectively to acetylenes under similar conditions: J. Chem. Soc., Chem. Commun., 1513 (1996).

• Lewis acid. Promotes the rearrangement of hydroxy sulfones to ketones: J. Chem. Soc., Chem. Commun., 2289 (1994).

• Highly efficient and reusable catalyst for acetylation of phenols, thiols, amines and alcohols under solvent-free conditions, claimed to be superior to metal triflates: Synlett, 627 (2004).

• In the presence of ZrCl₄, chloromethyl ethers are formed under mild conditions from acid chlorides and trioxane or paraformaldehyde: Tetrahedron Lett., 43, 6317 (2002).

• Superior catalyst for the Fries rearrangement of aryl acetates, giving the least hindered ortho-acetyl phenol in high yields at ambient temperatures: Tetrahedron Lett., 37, 7659 (1996).

• For a brief feature on uses of this reagent in synthesis, see: Synlett, 1073 (2003).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC标准名

tetrachlorozirconium

IUPAC传统名

zirconium(IV) chloride zirconium chloride

数据登录号

PubChem SID

248529622488341424861912162224535223443035

CAS号

EC号

MDL号

Chemspider ID

维基百科标题

Zirconium(IV)_chloride

默克索引号

1410174

PubChem CID

24817

PubMed文献链接

121898601957258718387331215268492300767722545205

Reaxys Registry

ACToR数据库

SureChEMBL数据库

CHEBI ID

CompTox数据库

描述信息

Zirconium(IV)_chloride

Sigma Aldrich

647640

包装
5, 25 g in ampule

357405

Application
应用于有机锆化学。1活化四氢吡咯以提高通过修正的波沃反应转化成相应的 α,α-二甲胺的转化率。2
包装
10, 100 g in glass bottle

221880

Application
活化四氢吡咯以提高通过修正的波沃反应转化成相应的 α,α-二甲胺的转化率。1
适用于核反应堆。
包装
5, 100, 500 g in glass bottle

ChEBI

CHEBI:77566

A zirconium coordination entity comprising four chlorine atoms bound to a central zirconium atom.

参考文献

PubChem文献

数据源提供

• Lewis acid. Promotes the rearrangement of hydroxy sulfones to ketones: J. Chem. Soc., Chem. Commun., 2289 (1994).

• Highly efficient and reusable catalyst for acetylation of phenols, thiols, amines and alcohols under solvent-free conditions, claimed to be superior to metal triflates: Synlett, 627 (2004).

• In the presence of ZrCl₄, chloromethyl ethers are formed under mild conditions from acid chlorides and trioxane or paraformaldehyde: Tetrahedron Lett., 43, 6317 (2002).

• Superior catalyst for the Fries rearrangement of aryl acetates, giving the least hindered ortho-acetyl phenol in high yields at ambient temperatures: Tetrahedron Lett., 37, 7659 (1996).

• For a brief feature on uses of this reagent in synthesis, see: Synlett, 1073 (2003).

生物活性

PubChem BioAssay

化合物性质

产品相关信息

化合物信息

ID:130255