3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate

• ChemBase编号: 7267
• 分子式: C12H9F13O2
• 平均质量: 432.1779016
• 单一同位素质量: 432.03949639
• SMILES: C(C(C(C(C(C(CCOC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3
• InChIKey: CDXFIRXEAJABAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate
• 别名: 甲基丙烯酸 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛酯; 2-(Perfluorohexyl)ethyl methacrylate; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate; 1H,1H,2H,2H-Perfluorooctyl methacrylate 95%; 1H,1H,2H,2H-perfluorooctyl methacrylate; 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate; 1H,1H,2H,2H-Perfluorooctyl methacrylate

登记号

• CAS号: 2144-53-8
• EC号: 218-407-9
• MDL号: MFCD00077580
• PubChem SID: 24870970; 160970574
• PubChem CID: 75066

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.0363383
• LogD (pH = 7.4): 6.0363383
• Log P: 6.0363383
• 摩尔折射率: 59.6595 cm^3
• 极化性: 22.774662 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -33°C
• 沸点: 92 °C/8 mmHg(lit.); 92°C/8mm
• 闪点: 113 °C; 113°C; 235.4 °F
• 密度: 1.496; 1.496 g/mL at 25 °C(lit.)
• 折射率: 1.3460; n20/D 1.346(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant/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
• TSCA收录: true
• 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
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95%; 97%
• 其他组分: 100 ppm 4-tert-butylcatechol as inhibitor
• 线性分子式: H2C=C(CH3)CO2CH2CH2(CF2)5CF3

详细说明

Sigma Aldrich - 474215

包装
5 mL in glass bottle