1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-iodoheptane

• ChemBase编号: 7695
• 分子式: C7H3F12I
• 平均质量: 441.9840284
• 单一同位素质量: 441.90878674
• SMILES: C(C(C(C(C(C(CI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H3F12I/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2H,1H2
• InChIKey: SSWJUMWKQPCAEB-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-dodecafluoro-7-iodoheptane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-iodoheptane
• 别名: 1H,1H,7H-1-Iodoperfluoroheptane; 1H,1H,7H-Perfluoroheptyl iodide 98%; 1H,1H,7H-Dodecafluoroheptyl iodide

登记号

• CAS号: 376-32-9
• MDL号: MFCD00198000
• PubChem SID: 160971002
• PubChem CID: 2776142

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.0367284
• LogD (pH = 7.4): 5.0367284
• Log P: 5.0367284
• 摩尔折射率: 47.7093 cm^3
• 极化性: 19.161667 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 78-79°C/20mm
• 密度: 2.044
• 折射率: 1.364

安全信息

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

产品相关信息

• 纯度: 98%