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

• ChemBase编号: 8908
• 分子式: C8F16I2
• 平均质量: 653.8689912
• 单一同位素质量: 653.78339752
• SMILES: C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(I)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(I)(F)F)(F)F)(F)F)(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26
• InChIKey: SRDQTCUHAMDAMG-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-1,8-diiodooctane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane
• 别名: 1,8-二碘代全氟辛烷; 1,8-Diiodoperfluorooctane; 1,8-Diiodohexadecafluorooctane; Perfluoro-1,8-diiodooctane 98%; Hexadecafluoro-1,8-diiodooctane

登记号

• CAS号: 335-70-6
• MDL号: MFCD00236093
• PubChem SID: 24872008; 160972215
• PubChem CID: 528190

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.3464
• LogD (pH = 7.4): 7.3464
• Log P: 7.3464
• 摩尔折射率: 66.8266 cm^3
• 极化性: 27.019377 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

• 熔点: 65°C; 73-77 °C(lit.); 75-76°C
• 沸点: 112°C/25mm; 74-76°C/76mm

安全信息

• 保存注意事项: IRRITANT; Irritant/Keep Cold
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%
• 线性分子式: I(CF2)8I

详细说明

Sigma Aldrich - 484997

包装
1 g in glass bottle