1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane

• ChemBase编号: 6974
• 分子式: C6F13I
• 平均质量: 445.9479116
• 单一同位素质量: 445.88371486
• SMILES: C(C(I)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
• InChIKey: BULLJMKUVKYZDJ-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-tridecafluoro-6-iodohexane
• IUPAC传统名: hexane, tridecafluoro-6-iodo-
• 别名: 1-碘全氟己烷; 1-碘十三氟己烷; 全氟己基碘烷; 十三氟己基碘; 全氟己基碘; 全氟己基碘烷; 1-碘全氟己烷; Perfluoro-n-hexyl iodide; 1-Iodo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane; Perfluoro(1-iodohexane); Perfluorohexyl iodide 98%; 1-Iodoperfluorohexane; 1-Iodotridecafluorohexane; Tridecafluoro-1-iodohexane; Tridecafluorohexyl iodide; Perfluorohexyl iodide; Tridecafluoro-1-iodohexane; Perfluoro-n-hexyl iodide; Perfluoro-1-iodohexane; 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane

登记号

• CAS号: 355-43-1
• EC号: 206-586-6
• MDL号: MFCD00001063
• Beilstein号: 1802118
• PubChem SID: 24887165; 24855861; 160970281
• PubChem CID: 67733

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.5716
• LogD (pH = 7.4): 5.5716
• Log P: 5.5716
• 摩尔折射率: 44.5159 cm^3
• 极化性: 17.793913 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -45°C; -45°C
• 沸点: 115-117°C; 117 °C(lit.); 117°C
• 闪点: 115 °C; 239 °F; none°C
• 密度: 2.063; 2.063 g/mL at 25 °C(lit.)
• 折射率: 1.326; 1.327; 1.3290; n20/D 1.329; n20/D 1.329(lit.)
• 疏水性(logP): 3.88

安全信息

• 保存注意事项: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon; IRRITANT; Light Sensitive
• 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: 26-37
• TSCA收录: true; 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: ≥96.0% (GC); 95%; 95+%; 98+%, stab. with copper; 99%
• 级别: purum
• 线性分子式: CF3(CF2)5I

详细说明

Sigma Aldrich - 262145

包装
5, 25 g in glass bottle