2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl prop-2-enoate

• ChemBase编号: 9756
• 分子式: C11H5F15O2
• 平均质量: 454.132248
• 单一同位素质量: 454.0050027
• SMILES: O=C(C=C)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CC(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H5F15O2/c1-2-4(27)28-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2
• InChIKey: YSQGYEYXKXGAQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl prop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl prop-2-enoate
• 别名: 1H,1H-全氟辛基丙烯酸酯; 1H,1H-Pentadecafluorooctyl acrylate; 1,1-Dyhydroperfluorooctyl acrylate; 1H,1H-Perfluorooctyl acrylate 97%; Acrylic acid 1H,1H-perfluorooctyl ester; 1H,1H-Pentadecafluorooctyl acrylate; 1H,1H-Perfluorooctyl acrylate

登记号

• CAS号: 307-98-2
• EC号: 206-212-1
• MDL号: MFCD00039248
• Beilstein号: 1809801
• PubChem SID: 160973063
• PubChem CID: 67551

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.0711274
• LogD (pH = 7.4): 6.0711274
• Log P: 6.0711274
• 摩尔折射率: 55.5186 cm^3
• 极化性: 21.390066 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

• 沸点: 112-115°C/60mm; 65°C/5mm
• 闪点: 91°C; 91°C(195°F)
• 密度: 1.403
• 折射率: 1.325; 1.3275; 1.3279

安全信息

• 保存注意事项: IRRITANT, KEEP COLD, LACHRYMATOR; Irritant/Keep Cold
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 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-H227
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 97%; 97%, stab. with 50ppm 4-methoxyphenol

详细说明

Apollo Scientific Ltd - PC5394

Inhibited with 50ppm MEHQ