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

• ChemBase编号: 7256
• 分子式: C12H4F21I
• 平均质量: 674.0310972
• 单一同位素质量: 673.90224075
• SMILES: C(C(C(C(C(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: ICCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
• InChIKey: HVWXRMINOYZYCK-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-henicosafluoro-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-henicosafluoro-12-iodododecane
• 别名: 1-碘-1H,1H,2H,2H-全氟十二烷; 1H,1H,2H,2H-全氟十二烷基碘化物; 1,1,2,2-四氢全氟碘代十二烷; 1-碘-1H,1H,2H,2H-全氟十二烷; 1-Iodo-1H,1H,2H,2H-perfluorododecane; 2-(Perfluorodecyl)ethyl iodide; 1H,1H,2H,2H-Perfluorododecyl iodide 97%; 1H,1H,2H,2H-Perfluorododecyl iodide; 1H,1H,2H,2H-Perfluorododecyl iodide; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoro-12-iodododecane; 1H,1H,2H,2H-Perfluoro-1-iodododecane

登记号

• CAS号: 2043-54-1
• EC号: 218-054-0
• MDL号: MFCD00039412
• Beilstein号: 1897869
• PubChem SID: 160970563; 24889590
• PubChem CID: 74886

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.982971
• LogD (pH = 7.4): 8.982971
• Log P: 8.982971
• 摩尔折射率: 71.4584 cm^3
• 极化性: 28.552866 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: 82-83°C; 85-87°C
• 沸点: 108°C/10mm; 108°C/10mm
• 密度: 1.820
• 折射率: 1.324

安全信息

• 保存注意事项: IRRITANT; Irritant/Light Sensitive/Store under Argon/Keep Cold; 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; 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: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥95.0% (GC); 97%
• 线性分子式: CF3(CF2)9CH2CH2I

详细说明

Sigma Aldrich - 91987

Other Notes
通过氟相分配在用于氟相固定化的化合物中引入氟化"马尾"的结构单元1,2,3
包装
2.5 g in glass bottle