tetrachlorozirconium

• ChemBase编号: 130255
• 分子式: Cl4Zr
• 平均质量: 233.036
• 单一同位素质量: 229.78011472
• SMILES: Cl[Zr](Cl)(Cl)Cl
• Canonical SMILES: Cl[Zr](Cl)(Cl)Cl
• InChI: InChI=1S/4ClH.Zr/h4*1H;/q;;;;+4/p-4
• InChIKey: DUNKXUFBGCUVQW-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: tetrachlorozirconium
• IUPAC传统名: zirconium(IV) chloride
• 别名: 四氯化锆; 氯化锆(IV); Zirconium(IV) chloride; Tetrachlorozirconium; Zirconium tetrachloride; Zirconium(IV) chloride

登记号

• CAS号: 10026-11-6
• EC号: 233-058-2
• MDL号: MFCD00011306
• 默克索引号: 1410174
• PubChem SID: 24861912; 162224535; 24883414; 24852962
• PubChem CID: 24817
• Chemspider ID: 23202
• 维基百科标题: Zirconium(IV)_chloride

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.538
• LogD (pH = 7.4): 2.538
• Log P: 2.538
• 摩尔折射率: 24.5452 cm^3
• 极化性: 13.704787 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: hydrolysis in water; soluble in alcohol, ether, concentrated HCl
• 外观: powder; white crystals ; hygroscopic
• 熔点: 331 °C; 331°C subl.
• 沸点: 437 °C (triple point)
• 闪点: Non-flammable
• 密度: 2.8 g/mL at 25 °C(lit.); 2.80 g/cm^3; 2.803
• 蒸汽压: 1 mmHg ( 190 °C)
• 热容: 125.38 J K^−1 mol^−1
• 标准摩尔生成焓 (ΔfH^o298): −980.52 kJ/mol
• 标准摩尔熵 (S^o298): 181.41 J K^−1 mol^−1
• 转变温度: sublimation point 331 °C

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: ZH7175000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 2503; UN2503
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 14-22-34
• 安全公开号: 26-36/37/39-45; 8-20-26-30-36/37/39-45-60
• TSCA收录: 是
• 欧盟危险品索引: Not listed
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• 半数致死量: 1688 mg/kg (oral, rat)
• GHS危险声明: H302-H314; H314-H318-H302
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2503 8/PG 3
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: ≥99.5% trace metals basis; ≥99.9% trace metals basis; 98%, cont. 1-2% hafnium(IV) chloride; 99.99% trace metals basis
• 级别: anhydrous
• 杂质: <50 ppm hafnium
• 线性分子式: ZrCl4

详细说明

Sigma Aldrich - 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

Sigma Aldrich - 647640

包装
5, 25 g in ampule

Sigma Aldrich - 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

参考文献

• Lewis acid. Promotes the rearrangement of hydroxy sulfones to ketones: J. Chem. Soc., Chem. Commun., 2289 (1994).
• 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).
• 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).
• In the presence of ZrCl₄, chloromethyl ethers are formed under mild conditions from acid chlorides and trioxane or paraformaldehyde: Tetrahedron Lett., 43, 6317 (2002).
• 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).
• For a brief feature on uses of this reagent in synthesis, see: Synlett, 1073 (2003).