3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl 2-methylprop-2-enoate

• ChemBase编号: 98785
• 分子式: C17H9F23O2
• 平均质量: 682.2154336
• 单一同位素质量: 682.02352859
• SMILES: O(CCC(C(C(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)(F)F)(F)F)C(=O)C(=C)C
• Canonical SMILES: CC(=C)C(=O)OCCC(C(C(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)(F)F)(F)F
• InChI: InChI=1S/C17H9F23O2/c1-5(2)6(41)42-4-3-7(18,19)9(21,22)11(25,26)13(29,30)15(33,34)14(31,32)12(27,28)10(23,24)8(20,16(35,36)37)17(38,39)40/h1,3-4H2,2H3
• InChIKey: PVMWMBHAEVDBQR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl 2-methylprop-2-enoate
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl 2-methylprop-2-enoate
• 别名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-二十氟-11-(三氟甲基)十二烷基甲基丙烯酸酯; 2-(Perfluoro-9-methyldecyl)ethyl methacrylate 97%; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Eicosafluoro-11-(trifluoromethyl)dodecyl methacrylate

登记号

• CAS号: 74256-14-7
• EC号: 277-789-5
• MDL号: MFCD00236102
• PubChem SID: 24870987; 162085150
• PubChem CID: 2776206

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 9.277888
• LogD (pH = 7.4): 9.277888
• Log P: 9.277888
• 摩尔折射率: 83.2736 cm^3
• 极化性: 32.222214 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 28-32 °C(lit.)
• 沸点: 110-111 °C/2 mmHg(lit.)
• 闪点: 113 °C; 235.4 °F

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: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 96%
• 其他组分: 100 ppm 4-tert-butylcatechol as inhibitor
• 线性分子式: H2C=C(CH3)CO2CH2CH2(CF2)8CF(CF3)2

详细说明

Sigma Aldrich - 474312

包装
5 g in glass bottle