3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl 2-methylprop-2-enoate

• ChemBase编号: 98788
• 分子式: C13H9F15O2
• 平均质量: 482.185408
• 单一同位素质量: 482.03630283
• SMILES: FC(C(F)(F)C(C(CCOC(=O)C(=C)C)(F)F)(F)F)(F)C(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C13H9F15O2/c1-5(2)6(29)30-4-3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h1,3-4H2,2H3
• InChIKey: SAIYGCOTLRCBJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl 2-methylprop-2-enoate
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl 2-methylprop-2-enoate
• 别名: 3,3,4,4,5,5,6,6,7,8,8,8-十二氟-7-(三氟甲基)甲基丙烯酸辛酯; 1H,1H,2H,2H-Perfluoro(7-methyloctyl)methacrylate; 2-(Perfluoro-5-methylhexyl)ethyl methacrylate 97%; 3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octyl methacrylate

登记号

• CAS号: 50836-66-3
• MDL号: MFCD00236098
• PubChem SID: 24870979; 162085153
• PubChem CID: 2776222

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.475317
• LogD (pH = 7.4): 6.475317
• Log P: 6.475317
• 摩尔折射率: 64.6016 cm^3
• 极化性: 24.65426 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: 83-86 °C/0.85 mmHg(lit.)
• 闪点: 100 °C; 212 °F
• 密度: 1.567; 1.567 g/mL at 25 °C(lit.)
• 折射率: 1.347; n20/D 1.347(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: 100 ppm 4-tert-butylcatechol as inhibitor
• 线性分子式: H2C=C(CH3)CO2CH2CH2(CF2)4CF(CF3)2

详细说明

Apollo Scientific Ltd - PC6121M

[1H,1H,2H,2H-Perfluoro(7-methyloctyl) methacrylate]n 1.3470 d 1.567 fw 482.19

Sigma Aldrich - 474274

包装
5 g in glass bottle