2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate

• ChemBase编号: 12116
• 分子式: C15H8F20O2
• 平均质量: 600.190884
• 单一同位素质量: 600.0204939
• SMILES: C(C(C(C(C(C(C(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCC(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
• InChI: InChI=1S/C15H8F20O2/c1-4(2)5(36)37-3-7(18,19)9(22,23)11(26,27)13(30,31)15(34,35)14(32,33)12(28,29)10(24,25)8(20,21)6(16)17/h6H,1,3H2,2H3
• InChIKey: PUCOLQDJAFBFDR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl 2-methylprop-2-enoate
• 别名: 1H,1H,11H-全氟十一烷基甲基丙烯酸盐; 1H,1H,11H-Perfluoroundecyl methacrylate; 1H,1H,11H-Eicosafluoroundecyl methacrylate; Methacrylic acid 1H,1H,11H-perfluoroundecyl ester; 1H,1H,11H-Perfluoroundecyl methacrylate; 1H,1H,11H-Perfluoroundecyl methacrylate 95%

登记号

• CAS号: 41123-44-8
• EC号: 255-230-6
• MDL号: MFCD00042111
• PubChem SID: 160975423
• PubChem CID: 2776421

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.079845
• LogD (pH = 7.4): 8.079845
• Log P: 8.079845
• 摩尔折射率: 72.99 cm^3
• 极化性: 28.556044 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 36-38°C; 36-38°C
• 沸点: 110°C/0.05mm; 110°C/0.05mm

安全信息

• 保存注意事项: Flammable/Keep Cold; IRRITANT, KEEP COLD
• 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: false; 否
• 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: 95%

详细说明

Apollo Scientific Ltd - PC3156

Inhibited with 50ppm MEHQ