tantalum(5+) ion pentachloride

• ChemBase编号: 302764
• 分子式: Cl5Ta
• 平均质量: 358.2129
• 单一同位素质量: 355.7922584
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+5]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ta+5]
• InChI: InChI=1S/5ClH.Ta/h5*1H;/q;;;;;+5/p-5
• InChIKey: OEIMLTQPLAGXMX-UHFFFAOYSA-I

名称和登记号

名称

• IUPAC标准名: tantalum(5+) ion pentachloride
• IUPAC传统名: tantalum(5+) ion pentachloride
• 别名: 五氯化钽(V); 无水五氯化钽(V), Puratronic®; 五氯化钽(V), Puratronic®; Tantalum pentachloride; Tantalum(V) chloride; Tantalum(V) chloride, anhydrous, Puratronic®; Tantalum(V) chloride, Puratronic®

登记号

• CAS号: 7721-01-9
• EC号: 231-755-6
• MDL号: MFCD00011253
• 默克索引号: 149054

理论计算性质

• Acid pKa: -7.0
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• 摩尔折射率: 5.6156 cm^3
• 极化性: 2.1090326 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: Decomposes in water. Soluble in absolute alcohol and KOH
• 外观: -60 Mesh Resublimed Powder, Ampouled under argon; Powder, Ampouled under argon; Resublimed Crystalline, Ampouled under argon
• 熔点: 216°C
• 沸点: 242°C
• 密度: 3.68

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: WW5600000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: UN3260
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): III
• 危险公开号: 20/21/22-34; 22-34
• 安全公开号: 20-26-36/37/39-45-60
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS危险声明: H311-H302-H332-H314-H318; H314-H318-H302
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P260-P303+P361+P353-P305+P351+P338-P361-P405-P501A

产品相关信息

• 纯度: 99.8% (metals basis); 99.99% (metals basis); 99.995% (metals basis)

参考文献

• In combination with silica, is a useful acid catalyst for, e.g. acetylation of alcohols: Tetrahedron Lett., 39, 3263 (1998), tetrahydropyranylation of alcohols and dithioacetalization of aldehydes: Tetrahedron, 53, 14997 (1997).
• In the presence of Zn metal, low-valent Ta complexes are formed with alkynes which react with carbonyl compounds to form (E)-allylic alcohols: J. Org. Chem., 55, 1707 (1990); 57, 321 (1992). Similarly, regioselective additions to alkenes can also be effected: J. Org. Chem., 59, 5852 (1994). With allylic alcohols, 1,4-dienes are formed: Chem. Lett., 315 (1995).