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

• ChemBase编号: 11999
• 分子式: C8HF16I
• 平均质量: 527.9724612
• 单一同位素质量: 527.88674955
• SMILES: C(I)(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(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)F
• InChI: InChI=1S/C8HF16I/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
• InChIKey: YGSSMEJGAVBONC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1-iodooctane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1-iodooctane
• 别名: 8H-Perfluorooctyl iodide; 8H-1-Iodoperfluorooctane; 8H-Perfluorooctyl iodide 97%

登记号

• CAS号: 79162-64-4
• MDL号: MFCD00236712
• PubChem SID: 160975306
• PubChem CID: 2776309

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.522
• LogD (pH = 7.4): 6.522
• Log P: 6.522
• 摩尔折射率: 52.9622 cm^3
• 极化性: 21.444458 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

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%