triethoxy[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

• ChemBase编号: 15290
• 分子式: C13H15F7O3Si
• 平均质量: 380.3307224
• 单一同位素质量: 380.06786841
• SMILES: [Si](OCC)(OCC)(c1c(c(c(c(c1F)F)C(F)(F)F)F)F)OCC
• Canonical SMILES: CCO[Si](c1c(F)c(F)c(c(c1F)F)C(F)(F)F)(OCC)OCC
• InChI: InChI=1S/C13H15F7O3Si/c1-4-21-24(22-5-2,23-6-3)12-10(16)8(14)7(13(18,19)20)9(15)11(12)17/h4-6H2,1-3H3
• InChIKey: FNHRVMWUGNXEKZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: triethoxy[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
• IUPAC传统名: triethoxy[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
• 别名: (4-Perfluorotolyl)triethoxysilane; (4-Perfluoromethylbenzene)triethoxysilane

登记号

• MDL号: MFCD06248661
• PubChem SID: 160978597
• PubChem CID: 2783342

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.6906
• LogD (pH = 7.4): 4.6906
• Log P: 4.6906
• 摩尔折射率: 67.7001 cm^3
• 极化性: 27.109972 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 68-70°C/1.5mm

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%