1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane

• ChemBase编号: 98739
• 分子式: C7F15I
• 平均质量: 495.955418
• 单一同位素质量: 495.8805213
• SMILES: IC(C(F)(F)C(F)(C(C(F)(F)C(F)(C(F)(F)F)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C7F15I/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23
• InChIKey: AHUMDLIBMIYQMU-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-pentadecafluoro-7-iodoheptane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane
• 别名: 1-碘全氟庚烷; Perfluoro(1-iodoheptane), 7-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane; Perfluoroheptyl iodide 97%; PERFLUOROHEPTYL IODIDE; 1-Iodoperfluoroheptane; Perfluoro-n-heptyl iodide; Perfluoro-1-iodoheptane

登记号

• CAS号: 335-58-0
• EC号: 206-393-7
• MDL号: MFCD00013712
• Beilstein号: 1806471
• PubChem SID: 162085111
• PubChem CID: 67633

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.4061
• LogD (pH = 7.4): 6.4061
• Log P: 6.4061
• 摩尔折射率: 49.1839 cm^3
• 极化性: 19.709412 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 137-138°C; 137-138°C
• 密度: 2.010
• 折射率: 1.3290

安全信息

• 保存注意事项: Harmful/Irritant/Light Sensitive/Keep Cold; Light Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 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

产品相关信息

• 纯度: 97%

详细说明

MP Biomedicals - 05216626

MP Biomedicals Rare Chemical collection