icosafluoro-1,4,7,10,13-pentaoxacyclopentadecane

• ChemBase编号: 6650
• 分子式: C10F20O5
• 平均质量: 580.072064
• 单一同位素质量: 579.9426375
• SMILES: O1C(C(OC(C(OC(C(OC(C(OC(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC1(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(C(OC(C(OC1(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F20O5/c11-1(12)2(13,14)32-5(19,20)6(21,22)34-9(27,28)10(29,30)35-8(25,26)7(23,24)33-4(17,18)3(15,16)31-1
• InChIKey: CAKZCCWLOCDNJK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: icosafluoro-1,4,7,10,13-pentaoxacyclopentadecane
• IUPAC传统名: icosafluoro-1,4,7,10,13-pentaoxacyclopentadecane
• 别名: Perfluoro-15-crown-5-ether; Perfluoro-15-crown-5 95%

登记号

• CAS号: 97571-69-2
• MDL号: MFCD01320747
• PubChem SID: 160969957
• PubChem CID: 2776038

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 8.24651
• LogD (pH = 7.4): 8.24651
• Log P: 8.24651
• 摩尔折射率: 60.8685 cm^3
• 极化性: 23.31933 Å^3
• 极化表面积: 46.15 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 145°C
• 闪点: none°C
• 密度: >1.3; >1.300

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 99%

详细说明

Apollo Scientific Ltd - PC3005

Potential 19F NMR imaging agent, particularly effective in brain and spinal diagnostics, USP 4,838,274. Single nmr signal; liquid at room temperature.