3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate

• ChemBase编号: 7254
• 分子式: C13H7F17O2
• 平均质量: 518.1663344
• 单一同位素质量: 518.0174592
• SMILES: FC(C(C(C(C(C(C(C(CCOC(=O)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C13H7F17O2/c1-2-5(31)32-4-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2
• InChIKey: QUKRIOLKOHUUBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl prop-2-enoate
• 别名: 1H,1H,2H,2H-全氟癸基 丙烯酸酯; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七癸(氟)丙烯酸酯; 1H,1H,2H,2H-十七氟癸烷丙烯酰酯; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七癸(氟)丙烯酸酯; 1H,1H,2H,2H-全氟癸基丙烯酸酯; Acrylic acid 1H,1H,2H,2H-perfluorodecyl ester; 1H,1H,2H,2H-Heptadecafluorodecyl acrylate; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl acrylate; 1H,1H,2H,2H-Heptadecafluorodecyl acrylate; 1H,1H,2H,2H-Perfluorodecyl acrylate; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl acrylate; 1H,1H,2H,2H-Perfluorodecyl acrylate

登记号

• CAS号: 27905-45-9
• EC号: 248-722-7
• MDL号: MFCD00042306
• Beilstein号: 5173337
• PubChem SID: 24890161; 160970561; 24871014
• PubChem CID: 119747

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.0420732
• LogD (pH = 7.4): 7.0420732
• Log P: 7.0420732
• 摩尔折射率: 64.6384 cm^3
• 极化性: 24.906982 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -3°C
• 沸点: 89-90°C/4mm; 90 °C/4 mmHg(lit.); 90°C/4mm
• 闪点: >110°C(230°F); 113 °C; 235.4 °F
• 密度: 1.596; 1.637; 1.637 g/mL at 25 °C(lit.)
• 折射率: 1.3370; n20/D 1.337; n20/D 1.337(lit.)

安全信息

• 保存注意事项: IRRITANT
• 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: 23-26-37
• TSCA收录: true; 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90.0% (GC); 96%, stab. with 100ppm 4-methoxyphenol; 97%; 98%
• 级别: technical
• 其他组分: 100 ppm tert-butylcatechol as inhibitor
• 线性分子式: H2C=CHCO2CH2CH2(CF2)7CF3

详细说明

Sigma Aldrich - 474487

包装
5, 25 mL in glass bottle