1-(bromodifluoromethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane

• ChemBase编号: 11857
• 分子式: C6BrF13O3
• 平均质量: 446.9456416
• 单一同位素质量: 445.88232272
• SMILES: C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)(F)F
• Canonical SMILES: FC(OC(C(OC(C(OC(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6BrF13O3/c7-5(16,17)22-3(12,13)1(8,9)21-2(10,11)4(14,15)23-6(18,19)20
• InChIKey: JPQGQPTZDXLRAY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(bromodifluoromethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane
• IUPAC传统名: 1-(bromodifluoromethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane
• 别名: (1-Bromo)perfluoro-2,5,8-trioxanonane; 1-Bromoperfluoro-2,5,8-trioxanonane

登记号

• CAS号: 330562-45-3
• MDL号: MFCD03094295
• PubChem SID: 160975164
• PubChem CID: 2760331

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 7.038361
• LogD (pH = 7.4): 7.038361
• Log P: 7.038361
• 摩尔折射率: 30.5741 cm^3
• 极化性: 18.023619 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: false

分子性质

理化性质

• 沸点: 100°C

安全信息

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

产品相关信息

• 纯度: 98%