2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate

• ChemBase编号: 98356
• 分子式: C12H7F15O2
• 平均质量: 468.158828
• 单一同位素质量: 468.02065276
• SMILES: O(C(=O)C(=C)C)CC(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H7F15O2/c1-4(2)5(28)29-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1,3H2,2H3
• InChIKey: RUEKTOVLVIXOHT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 2-methylprop-2-enoate
• 别名: 1H,1H-全氟辛基甲基丙烯酸盐; Methacrylic acid 1H,1H-perfluorooctyl ester; 1H,1H-Pentadecafluorooctyl methacrylate; 1H,1H-Perfluorooctyl methacrylate; 1H,1H-Perfluorooctyl methacrylate 97%

登记号

• CAS号: 3934-23-4
• EC号: 223-509-1
• MDL号: MFCD00039247
• Beilstein号: 6445701
• PubChem SID: 162084794
• PubChem CID: 77532

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.4666777
• LogD (pH = 7.4): 6.4666777
• Log P: 6.4666777
• 摩尔折射率: 59.8757 cm^3
• 极化性: 23.013702 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 67-70°C/5mm; 70°C/1mm
• 闪点: 96°C; 96°C(204°F)
• 密度: 1.496
• 折射率: 1.337; 1.3370

安全信息

• 保存注意事项: Flammable/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: 23-26-37
• 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

Apollo Scientific Ltd - PC5398

Inhibited with 50ppm MEHQ