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

• ChemBase编号: 8872
• 分子式: C8F17I
• 平均质量: 545.9629244
• 单一同位素质量: 545.87732774
• SMILES: C(C(I)(F)F)(C(C(C(C(C(C(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)F
• InChI: InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
• InChIKey: KWXGJTSJUKTDQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
• 别名: 1-碘全氟辛烷; 全氟碘代辛烷; 全氟辛基碘烷; 十七氟-1-碘辛烷; 1-碘全氟辛烷; Perfluorooctyl iodide; 1-Iodoperfluorooctane; Perfluorooctyl iodide 98%; Heptadecafluorooctyl iodide; Perfluorooctyl iodide; Heptadecafluoro-1-iodooctane; 1-Iodoperfluorooctanee; Perfluoro-1-iodooctane; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-iodooctane; 1-Iodo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane; 1-Iodoheptadecafluorooctane; Heptadecafluoro-1-iodooctane; Perfluoro-1-iodooctane; Perfluoro-n-octyl Iodide; Telomer AN

登记号

• CAS号: 507-63-1
• EC号: 208-079-5
• MDL号: MFCD00001064
• Beilstein号: 1717141
• PubChem SID: 24855749; 160972179; 24887177
• PubChem CID: 10491

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.2406
• LogD (pH = 7.4): 7.2406
• Log P: 7.2406
• 摩尔折射率: 53.8519 cm^3
• 极化性: 21.62542 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

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Clear Colorless to Pale Pink Oil
• 熔点: 25°C; 25°C
• 沸点: 160-161 °C(lit.); 160-161°C; 160-161°CC; 160-161°C
• 闪点: 115 °C; 115°C; 239 °F
• 密度: 2.040; 2.067 g/mL at 20 °C(lit.)
• 折射率: 1.3290; n20/D 1.329; n20/D 1.329(lit.)

安全信息

• 保存条件: Refrigerator
• 保存注意事项: IRRITANT, LIGHT SENSITIVE; Irritant/Light Sensitive/Keep Cold; Light Sensitive
• RTECS编号: RG9700050
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥98.0% (GC); 98%
• 级别: purum
• 其他组分: copper pellets as stabilizer
• 线性分子式: CF3(CF2)7I

详细说明

MP Biomedicals - 05225986

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 262544

包装
5, 25 g in glass bottle

Toronto Research Chemicals - P286505

Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers.

参考文献

• Bruckmann, A. et al.: Syn;ett, 6, 900 (2008)
• Tapscott, R.E. et al.: ACS Symp. Ser., 611, 151 (2008)