1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane

• ChemBase编号: 8538
• 分子式: C9F19I
• 平均质量: 595.9704308
• 单一同位素质量: 595.87413418
• SMILES: C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C9F19I/c10-1(7(21,22)23,8(24,25)26)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)9(27,28)29
• InChIKey: VRJGWRPPKVEMMR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane
• IUPAC传统名: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)octane
• 别名: 1-Iodoperfluoro(7-methyloctane); Perfluoroisononyl iodide 98%; Perfluoroisononyl iodide

登记号

• CAS号: 865-77-0
• MDL号: MFCD00153243
• PubChem SID: 160971845
• PubChem CID: 70082

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.3475
• LogD (pH = 7.4): 7.3475
• Log P: 7.3475
• 摩尔折射率: 58.794 cm^3
• 极化性: 23.54386 Å^3
• 极化表面积: 0.0 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: 190°C

安全信息

• 保存注意事项: Toxic
• TSCA收录: false

产品相关信息

• 纯度: 98%