1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-12-iodododecane

• ChemBase编号: 7884
• 分子式: C12F25I
• 平均质量: 745.99295
• 单一同位素质量: 745.8645535
• SMILES: C(C(C(C(C(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)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(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38
• InChIKey: WBYCUETVRCXUPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-12-iodododecane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-12-iodododecane
• 别名: 全氟十二烷基碘; 全氟碘代十二烷; 1-碘全氟十二烷; Perfluorododecyl iodide; Pentacosafluoro-1-iodododecane; 1-Iodoperfluorododecane; Perfluorododecyl iodide 97%; Perfluorododecyl iodide

登记号

• CAS号: 307-60-8
• EC号: 206-205-3
• MDL号: MFCD00001066
• Beilstein号: 1718343
• PubChem SID: 160971191; 24855609
• PubChem CID: 67546

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.5786
• LogD (pH = 7.4): 10.5786
• Log P: 10.5786
• 摩尔折射率: 72.5239 cm^3
• 极化性: 29.292446 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 95-98 °C; 95-98 °C(lit.); 99-101°C
• 沸点: 108-110 °C/18 mmHg(lit.); 108-110°C/18mm

安全信息

• 保存注意事项: IRRITANT; Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: true
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (GC); 97%
• 级别: purum
• 线性分子式: CF3(CF2)11I

详细说明

Sigma Aldrich - 257834

包装
1, 5 g in glass bottle