4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl 2-methylprop-2-enoate

• ChemBase编号: 10293
• 分子式: C11H11F9O3
• 平均质量: 362.1888688
• 单一同位素质量: 362.05644819
• SMILES: C(C(C(C(CC(COC(=O)C(=C)C)O)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: OC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)COC(=O)C(=C)C
• InChI: InChI=1S/C11H11F9O3/c1-5(2)7(22)23-4-6(21)3-8(12,13)9(14,15)10(16,17)11(18,19)20/h6,21H,1,3-4H2,2H3
• InChIKey: BCTGGJURYOEMFV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl 2-methylprop-2-enoate
• IUPAC传统名: 4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl 2-methylprop-2-enoate
• 别名: 3-(Nonafluorobutyl)-2-hydroxypropyl methacrylate; 3-(Perfluorobutyl)-2-hydroxypropyl methacrylate

登记号

• CAS号: 36915-03-4
• MDL号: MFCD02183553
• PubChem SID: 160973600
• PubChem CID: 2779093

理论计算性质

• Acid pKa: 14.232126
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.004718
• LogD (pH = 7.4): 4.004718
• Log P: 4.004718
• 摩尔折射率: 56.286 cm^3
• 极化性: 21.52229 Å^3
• 极化表面积: 46.53 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 73-75°C/0.8mm

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%