2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl prop-2-enoate

• ChemBase编号: 6750
• 分子式: C14H6F20O2
• 平均质量: 586.164304
• 单一同位素质量: 586.00484383
• SMILES: C(C(C(C(C(C(C(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)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(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H6F20O2/c1-2-4(35)36-3-6(17,18)8(21,22)10(25,26)12(29,30)14(33,34)13(31,32)11(27,28)9(23,24)7(19,20)5(15)16/h2,5H,1,3H2
• InChIKey: ASJLMYWCUSHRIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl prop-2-enoate
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl prop-2-enoate
• 别名: 1H,1H,11H-全氟十一烷基丙烯酸酯; 1H,1H,11H-Eicosafluoroundecyl acrylate; Acrylic acid 1H,1H,11H-perfluoroundecyl ester; 1H,1H,11H-Eicosafluoroundecyl acrylate; 1H,1H,11H-Perfluoroundecyl acrylate; 1H,1H,11H-Perfluoroundecyl acrylate 92%

登记号

• CAS号: 4998-38-3
• EC号: 225-659-3
• MDL号: MFCD00042112
• PubChem SID: 160970057
• PubChem CID: 2776419

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.6842947
• LogD (pH = 7.4): 7.6842947
• Log P: 7.6842947
• 摩尔折射率: 68.6329 cm^3
• 极化性: 26.943449 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 44-45°C; 44-53°C
• 沸点: 115°C/1mm; 115°C/1mm

安全信息

• 保存注意事项: IRRITANT, KEEP COLD; 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: 26-37
• TSCA收录: false; 否
• 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

产品相关信息

• 纯度: 92%; tech. 85%, stab. with ca 50ppm 4-methoxyphenol

详细说明

Apollo Scientific Ltd - PC3154

Inhibited with 50ppm MEHQ