1,8-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioate

• ChemBase编号: 7882
• 分子式: C10H6F12O4
• 平均质量: 418.1330784
• 单一同位素质量: 418.00744731
• SMILES: O(C(=O)C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
• Canonical SMILES: COC(=O)C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H6F12O4/c1-25-3(23)5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4(24)26-2/h1-2H3
• InChIKey: SLFDDMXEAUAENU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,8-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioate
• IUPAC传统名: 1,8-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioate
• 别名: 全氟辛二酸二甲酯; Perfluorosuberic acid dimethyl ester; Dimethyl perfluorosuberate; Dimethyl dodecafluorooctanedioate; Dimethyl perfluorosuberate 98%; Dimethyl dodecafluorosuberate

登记号

• CAS号: 2062-20-6
• MDL号: MFCD00044088
• Beilstein号: 1917354
• PubChem SID: 160971189
• PubChem CID: 2737122

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.231893
• LogD (pH = 7.4): 4.231893
• Log P: 4.231893
• 摩尔折射率: 51.9848 cm^3
• 极化性: 20.758003 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 26°C; 26°C
• 沸点: 152°C/60mm; 152°C/60mm
• 密度: 1.635
• 折射率: 1.3425

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false; 否

产品相关信息

• 纯度: 96%; 98%