titanium(4+) ion tetrachloride

• ChemBase编号: 303036
• 分子式: Cl4Ti
• 平均质量: 189.679
• 单一同位素质量: 187.82335702
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
• InChI: InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
• InChIKey: XJDNKRIXUMDJCW-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: titanium(4+) ion tetrachloride
• IUPAC传统名: titanium(4+) ion tetrachloride
• 别名: 四氯化钛(IV); Titanium tetrachloride; Titanic chloride; Titanium(IV) chloride

登记号

• CAS号: 7550-45-0
• EC号: 231-441-9
• MDL号: MFCD00011267
• 默克索引号: 149478

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: Soluble in dilute hydrochloric acid, alcohol and alkalies.
• 外观: Liquid
• 熔点: -25°C
• 沸点: 136-137°C
• 密度: 1.726
• 折射率: 1.61

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: XR1925000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: UN1838
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): I
• 危险公开号: 14-34
• 安全公开号: 7/8-26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05
• GHS危险声明: H314
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

产品相关信息

• 纯度: 99.0% min, typically 99.6%; 99.99% (metals basis)

参考文献

• Conversion of ketones to N-alkylimines: Org. Synth. Coll., 6, 818 (1988); Acta Chem. Scand., 46, 1211 (1992). Aldol condensation of aryl ketones with aryl aldehydes: Tetrahedron Lett., 28, 4135 (1987). Crossed aldol condensation of silyl enol ethers with carbonyl compounds: J. Am. Chem. Soc., 96, 7503 (1974); Org. Synth. Coll., 8, 323 (1993). ɑ-Tert-alkylation of ketones by reaction of the silyl enol ether with a tertiary halide: Org. Synth. Coll., 7, 424 (1990); review: Angew. Chem. Int. Ed., 21, 96 (1982); see also Zinc chloride, A16281. Michael addition of silyl enol ethers to ɑ?-enones: Org. Synth. Coll., 8, 210 (1993). For conjugate allylation of ɑ?-enones, see Allyltrimethylsilane, A14662. Regiospecific [3+2] annulation of enones with silylated allenes: J. Am. Chem. Soc., 103, 1604 (1981); Tetrahedron, 39, 935 (1983); Org. Synth. Coll., 8, 347 (1993):
  
• In combination with NaI, for reduction of amine oxides and nitrones to amines: Chem. Ber., 123, 647 (1990); and sulfoxides to sulfides: Synthesis, 155 (1991). With Mg, for deoxygenation of aromatic N-oxides: Synthesis, 732 (1987). With LAH for the otherwise difficult reduction of sulfones to sulfides: J. Chem. Soc., Chem. Commun., 761 (1994). Reviews of low-valent titanium reagents in organic synthesis: Synthesis, 883 (1989); J. Organomet. Chem., 405, 1 (1991); J. Prakt. Chem./ Chem. Ztg., 337, 250 (1995).
• Moderately strong Lewis acid with extremely wide application. Review of use in organic synthesis: Angew. Chem. Int. Ed., 16, 817 (1977). Brief feature: Synlett, 364 (2002).
• Examples of reactions mediated by TiCl₄:
• For use in a diastereoselective Mannich reaction, see: Helv. Chim. Acta, 67, 1593 (1984). Also used in combination with reducing agents for the generation of low-valent Ti species, which effect the reduction of various functional groups: