3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl 2-methylprop-2-enoate

• ChemBase编号: 98790
• 分子式: C15H9F19O2
• 平均质量: 582.2004208
• 单一同位素质量: 582.02991571
• SMILES: FC(C(F)(C(C(C(C(CCOC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(F)C(F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C15H9F19O2/c1-5(2)6(35)36-4-3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h1,3-4H2,2H3
• InChIKey: KTPONRIHDUNNPD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl 2-methylprop-2-enoate
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl 2-methylprop-2-enoate
• 别名: 1H,1H,2H,2H-全氟-9-甲基癸烷羟丙酯; 2-(Perfluoro-7-methyloctyl)ethylmethacrylate 97%; 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Hexadecafluoro-9-(trifluoromethyl)decyl methacrylate

登记号

• CAS号: 15166-00-4
• EC号: 239-221-4
• MDL号: MFCD00236100
• PubChem SID: 24870983; 162085155
• PubChem CID: 84812

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.8766026
• LogD (pH = 7.4): 7.8766026
• Log P: 7.8766026
• 摩尔折射率: 73.9376 cm^3
• 极化性: 28.429441 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

• 沸点: 116 °C/6 mmHg(lit.)
• 闪点: 113 °C; 235.4 °F
• 密度: 1.629; 1.629 g/mL at 25 °C(lit.)
• 折射率: 1.343; n20/D 1.345(lit.)

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)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

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)CO2CH2CH2(CF2)6CF(CF3)2