1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodooctane

• ChemBase编号: 7691
• 分子式: C8ClF16I
• 平均质量: 562.4175212
• 单一同位素质量: 561.8477772
• SMILES: C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)F
• InChI: InChI=1S/C8ClF16I/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
• InChIKey: UUDAHXKFALCGJQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodooctane
• IUPAC传统名: 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodooctane
• 别名: 1-Chloro-8-iodoperfluorooctane 98%; 1-Chloro-8-iodoperfluorooctane

登记号

• CAS号: 16486-98-9
• MDL号: MFCD01320707
• PubChem SID: 160970998
• PubChem CID: 2736617

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.427
• LogD (pH = 7.4): 7.427
• Log P: 7.427
• 摩尔折射率: 58.6867 cm^3
• 极化性: 23.398365 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 74-78°C/4mm

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 98%