tris(trifluoromethanesulfonyloxy)hafnio trifluoromethanesulfonate

• ChemBase编号: 97025
• 分子式: C4F12HfO12S4
• 平均质量: 774.7664384
• 单一同位素质量: 775.75464808
• SMILES: [Hf](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)O[Hf](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(F)F
• 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: tris(trifluoromethanesulfonyloxy)hafnio trifluoromethanesulfonate
• IUPAC传统名: tris(trifluoromethanesulfonyloxy)hafnio trifluoromethanesulfonate
• 别名: 三氟甲烷磺酸铪(IV); 三氟甲磺酸铪 水合物; Hafnium triflate; Hafnium(IV) trifluoromethanesulphonate; Hf(OTf)4; Hafnium(IV) triflate; Hafnium(IV) trifluoromethanesulfonate hydrate

登记号

• CAS号: 161337-67-3
• MDL号: MFCD01321255
• PubChem SID: 162083653; 24870553
• PubChem CID: 2782370

理论计算性质

• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 6.8776
• LogD (pH = 7.4): 6.8776
• Log P: 6.8776
• 摩尔折射率: 63.07 cm^3
• 极化性: 37.14928 Å^3
• 极化表面积: 173.48 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: >350 °C(lit.); >350°C

安全信息

• 保存注意事项: Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 线性分子式: (CF3SO3)4Hf

详细说明

Sigma Aldrich - 469041

Application
用于邻硝基甲苯一硝基化的可回收利用的优良催化剂。8
Catalyst for:
• Homogeneous methoxycarbonylation and hydrocarboxylation reactions of phenylacetylene1
• Direct Friedel-Crafts reactions of chromene hemiacetals2
• Aminomethylation reactions under Lewis acidic conditions3
• Prins-type cyclization reactions4
• Direct polycondensation of lactic acid5
• Cationic benzylation reactions6
• Chemoselective thioacetalization and transthioacetalization of carbonyl compounds7
包装
1 g in glass bottle