hafnium(4+) ion tetratrifluoromethanesulfonate

• ChemBase编号: 295026
• 分子式: C4F12HfO12S4
• 平均质量: 774.7664384
• 单一同位素质量: 775.75464808
• SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Hf+4]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Hf+4]
• InChI: InChI=1S/4CHF3O3S.Hf/c4*2-1(3,4)8(5,6)7;/h4*(H,5,6,7);/q;;;;+4/p-4
• InChIKey: BQYMOILRPDTPPJ-UHFFFAOYSA-J

名称和登记号

名称

• IUPAC标准名: hafnium(4+) ion tetratrifluoromethanesulfonate
• IUPAC传统名: hafnium(4+) ion tetratriflate
• 别名: 三氟甲磺酸铪; Hafnium triflate; Trifluoromethanesulfonic acid hafnium salt; Hafnium trifluoromethanesulfonate

登记号

• CAS号: 161337-67-3
• MDL号: MFCD01321255
• PubChem SID: 180680557
• PubChem CID: 9853707

理论计算性质

• Acid pKa: -3.4301212
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• 摩尔折射率: 15.8602 cm^3
• 极化性: 7.460577 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: >350°C

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 98%

参考文献

• Lewis acid catalyst introduced by Kobayashi, effective at low concentrations under mild conditions in Friedel-Crafts acylation and alkylation reactions: Bull. Chem. Soc. Jpn.,68, 2053 (1995). Efficient catalyst for the Fries rearrangement of phenolic esters to acylphenols: Tetrahedron Lett., 37, 2053 (1996); Bull. Chem. Soc. Jpn., 70, 267 (1997). Superior to lanthanide triflates as catalyst for atom-economic aromatic nitration with a stoichiometric amount of nitric acid in DCM, avoiding the use of sulfuric acid: Tetrahedron Lett., 39, 1641 (1198); Synlett, 57 (2000). Efficient catalyst for allylations of imines with Allyltri-n-butyltin, L14087, and of Mannich-type reactions of imines with silyl enol ethers: Synlett, 1099 (1997). For use in combination with a catalytic amount of triflic acid for the Friedel-Crafts acylation of aromatics, see: Tetrahedron Lett., 39, 4697 (1998). For use in the catalytic decarboxylative ?-selective glycosylation via a mixed glycosyl carbonate, see: Synlett, 959 (2004). Catalyzes the conjugate addition of indoles to ɑ?-enones: Synlett, 2492 (2005).