1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

• ChemBase编号: 7261
• 分子式: C8H4F13I
• 平均质量: 474.0010716
• 单一同位素质量: 473.91501499
• SMILES: FC(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2
• InChIKey: NVVZEKTVIXIUKW-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-8-iodooctane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
• 别名: 1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟-8-碘辛烷; 1H,1H,2H,2H-全氟碘辛烷; 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基碘; 8-碘-1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟辛烷; 1H,1H,2H,2H-全氟碘辛烷; 1-碘-1H,1H,2H,2H-全氟辛烷; 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane; 1H,1H,2H,2H-Perfluorooctyl iodide; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl iodide; 1H,1H,2H,2H-Perfluorooctyl iodide; 8-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane; 2-(Perfluorohex-1-yl)ethyl iodide; 1-Iodo-2-(perfluorohex-1-yl)ethane; 1-Iodo-1H,1H,2H,2H-tridecafluorooctane; 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane; 1-Iodo-1H,1H,2H,2H-perfluorooctane; 1H,1H,2H,2H-Perfluoro-1-iodooctane; 1H,1H,2H,2H-Perfluorooctyl iodide

登记号

• CAS号: 2043-57-4
• EC号: 218-056-1
• MDL号: MFCD00039410
• Beilstein号: 1887105
• PubChem SID: 160970568; 24863072
• PubChem CID: 74888

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.180401
• LogD (pH = 7.4): 6.180401
• Log P: 6.180401
• 摩尔折射率: 52.7864 cm^3
• 极化性: 20.919552 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: 20.5°C; ca 20°C
• 沸点: 178-180°C; 178-180°C; 92 °C/45 mmHg(lit.)
• 闪点: >150 °C; >302 °F; 150°C(302°F); 80°C
• 密度: 1.91; 1.934 g/mL at 25 °C(lit.); 1.940
• 折射率: 1.36; 1.3600; n20/D 1.359(lit.)

安全信息

• 保存注意事项: Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT-HARMFUL; 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: 26-36; 26-37
• TSCA收录: true; 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: 95%; 95+%; 96%; 97%, stab. with copper
• 线性分子式: CF3(CF2)5CH2CH2I

详细说明

Apollo Scientific Ltd - PC6172

Stabilised with copper

Sigma Aldrich - 370517

包装
5, 25, 100 g in glass bottle