1,2,4,5-tetrafluoro-3,6-dipentafluorophenoxybenzene

• ChemBase编号: 99183
• 分子式: C18F14O2
• 平均质量: 514.1690448
• 单一同位素质量: 513.96747432
• SMILES: Fc1c(c(c(c(c1F)Oc1c(c(c(c(c1F)F)F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: Fc1c(Oc2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)Oc1c(F)c(F)c(c(c1F)F)F)F
• InChI: InChI=1S/C18F14O2/c19-1-3(21)7(25)15(8(26)4(1)22)33-17-11(29)13(31)18(14(32)12(17)30)34-16-9(27)5(23)2(20)6(24)10(16)28
• InChIKey: QUYRBEDFNGXEQH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,4,5-tetrafluoro-3,6-dipentafluorophenoxybenzene
• IUPAC传统名: 1,2,4,5-tetrafluoro-3,6-dipentafluorophenoxybenzene
• 别名: Perfluoro-4-phenoxydiphenyl ether; Perfluoro(1,4-diphenoxybenzene)

登记号

• CAS号: 6804-37-1
• PubChem SID: 162085474
• PubChem CID: 45075726

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.9716473
• LogD (pH = 7.4): 6.9716473
• Log P: 6.9716473
• 摩尔折射率: 81.5692 cm^3
• 极化性: 29.218103 Å^3
• 极化表面积: 18.46 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: 145-148°C
• 闪点: >110°C

安全信息

• 保存注意事项: Irritant