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

• ChemBase编号: 11856
• 分子式: C9BrF19O3
• 平均质量: 596.9681608
• 单一同位素质量: 595.87274204
• SMILES: C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)(F)F
• Canonical SMILES: FC(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)F
• InChI: InChI=1S/C9BrF19O3/c10-9(28,29)32-8(26,27)7(24,25)31-6(22,23)5(20,21)30-4(18,19)2(13,14)1(11,12)3(15,16)17
• InChIKey: IKLGPUSJUIHNMO-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-(nonafluorobutoxy)ethoxy]ethane
• IUPAC传统名: 1-(bromodifluoromethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethane
• 别名: (1-Bromo)perfluoro-2,5,8-trioxadodecane; Perfluoro(1-bromo-2,5,8-trioxadodecane), 1-(2-{2-[Bromo(difluoro)methoxy]-1,1,2,2-tetrafluoroethoxy}-1,1,2,2-tetrafluoroethoxy)-1,1,2,2,3,3,4,4,4-nonafluorobutane; Perfluoro-2,5-8-trioxadodecyl bromide

登记号

• CAS号: 330562-47-5
• MDL号: MFCD03094130
• PubChem SID: 160975163
• PubChem CID: 2760330

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 8.6540985
• LogD (pH = 7.4): 8.6540985
• Log P: 8.6540985
• 摩尔折射率: 49.3182 cm^3
• 极化性: 23.773813 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 60°C/25mm

安全信息

• 保存注意事项: Harmful/Irritant/Light Sensitive; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 98%