3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 2-methylprop-2-enoate

• ChemBase编号: 98687
• 分子式: C16H9F21O2
• 平均质量: 632.2079272
• 单一同位素质量: 632.02672215
• SMILES: O(C(=O)C(=C)C)CCC(F)(F)C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)F)F)F
• Canonical SMILES: CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C16H9F21O2/c1-5(2)6(38)39-4-3-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h1,3-4H2,2H3
• InChIKey: FQHLOOOXLDQLPF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 2-methylprop-2-enoate
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 2-methylprop-2-enoate
• 别名: 2-(全氟癸基)乙基甲基丙烯酸酯; 2-(Perfluorodecyl)ethyl methacrylate; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl 2-methylprop-2-enoate; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl methacrylate 97%; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyl methacrylate

登记号

• CAS号: 2144-54-9
• EC号: 218-408-4
• MDL号: MFCD00236095
• PubChem SID: 24870972; 162085072
• PubChem CID: 102214

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.838909
• LogD (pH = 7.4): 8.838909
• Log P: 8.838909
• 摩尔折射率: 78.3315 cm^3
• 极化性: 30.321932 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 40-45°C; 43-45 °C(lit.)
• 沸点: 95-100°C/0.1mm
• 闪点: 113 °C; 113°C; 235.4 °F

安全信息

• 保存注意事项: Irritant/Keep Cold
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 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
• RID/ADR: UN 3077 9/PG 3
• 保存温度: 2-8°C

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)9CF3

详细说明

Sigma Aldrich - 474231

包装
5 g in glass bottle