2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl 2-methylprop-2-enoate

• ChemBase编号: 7705
• 分子式: C13H8F16O2
• 平均质量: 500.1758712
• 单一同位素质量: 500.02688102
• SMILES: 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
• Canonical SMILES: CC(=C)C(=O)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C13H8F16O2/c1-4(2)5(30)31-3-7(16,17)9(20,21)11(24,25)13(28,29)12(26,27)10(22,23)8(18,19)6(14)15/h6H,1,3H2,2H3
• InChIKey: XAENZTGUQXVFPQ-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-hexadecafluorononyl 2-methylprop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl 2-methylprop-2-enoate
• 别名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-十六氟壬基甲基丙烯酸酯; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononyl methacrylate; 1H,1H,9H-Perfluorononyl methacrylate 97%; 1H,1H,9H-Hexadecafluorononyl methacrylate

登记号

• CAS号: 1841-46-9
• EC号: 217-419-1
• MDL号: MFCD00078427
• PubChem SID: 160971012
• PubChem CID: 102170

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.67856
• LogD (pH = 7.4): 6.67856
• Log P: 6.67856
• 摩尔折射率: 63.654 cm^3
• 极化性: 24.767727 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 234 °C(lit.); 234°C
• 闪点: 113 °C; 235.4 °F
• 密度: 1.618; 1.618 g/mL at 25 °C(lit.)
• 折射率: 1.342; 1.3440; n20/D 1.344(lit.)

安全信息

• 保存注意事项: Flammable/Keep Cold; IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: false
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%
• 其他组分: 0.01% 4-tert-butylcatechol as inhibitor
• 线性分子式: H2C=C(CH3)CO2CH2(CF2)7CHF2