2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2-methylprop-2-enoate

• ChemBase编号: 7722
• 分子式: C11H8F12O2
• 平均质量: 400.1608584
• 单一同位素质量: 400.03326814
• SMILES: C(C(C(C(C(C(COC(=O)C(=C)C)(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(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H8F12O2/c1-4(2)5(24)25-3-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h6H,1,3H2,2H3
• InChIKey: YJKHMSPWWGBKTN-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-dodecafluoroheptyl 2-methylprop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
• 别名: 1H,1H,7H-Perfluoroheptyl methacrylate 97%; 1H,1H,7H-Perfluoroheptyl methacrylate

登记号

• CAS号: 2261-99-6
• MDL号: MFCD00080658
• PubChem SID: 160971029
• PubChem CID: 102236

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.2772746
• LogD (pH = 7.4): 5.2772746
• Log P: 5.2772746
• 摩尔折射率: 54.318 cm^3
• 极化性: 21.002714 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 112°C/40mm
• 闪点: 104°C
• 密度: 1.536
• 折射率: 1.349; 1.3490

安全信息

• 保存注意事项: Flammable/Keep Cold; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%

详细说明

Apollo Scientific Ltd - PC3132F

Inhibited