3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl 2-methylprop-2-enoate

• ChemBase编号: 98773
• 分子式: C11H9F11O2
• 平均质量: 382.1703952
• 单一同位素质量: 382.04268995
• SMILES: O(CCC(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(F)F)C(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCCC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
• InChI: InChI=1S/C11H9F11O2/c1-5(2)6(23)24-4-3-7(12,13)9(15,16)8(14,10(17,18)19)11(20,21)22/h1,3-4H2,2H3
• InChIKey: JTEKNLSWXJADLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl 2-methylprop-2-enoate
• IUPAC传统名: 3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl 2-methylprop-2-enoate
• 别名: 3,3,4,4,5,6,6,6-八氟-5-(三氟甲基)己基甲基丙烯酸酯; 3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hex-1-yl 2-methylprop-2-enoate; 1H,1H,2H,2H-Perfluoro(5-methylhex-1-yl) methacrylate 97%; 3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexyl methacrylate

登记号

• CAS号: 65195-44-0
• MDL号: MFCD00236096
• PubChem SID: 162085139; 24870975
• PubChem CID: 2776195

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.074032
• LogD (pH = 7.4): 5.074032
• Log P: 5.074032
• 摩尔折射率: 55.2656 cm^3
• 极化性: 20.910004 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: 199 °C(lit.)
• 闪点: 113 °C; 235.4 °F
• 密度: 1.481 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.354(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)CO2CH2CH2CF2CF2CF(CF3)2

详细说明

Sigma Aldrich - 474258

包装
5 g in glass bottle