1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate

• ChemBase编号: 9423
• 分子式: C14H6F20O4
• 平均质量: 618.163104
• 单一同位素质量: 617.99467307
• SMILES: C(=O)(C(C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
• Canonical SMILES: COC(=O)C(C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H6F20O4/c1-37-3(35)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)14(33,34)12(29,30)10(25,26)8(21,22)6(17,18)4(36)38-2/h1-2H3
• InChIKey: GHVIUCXUOSDTBP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate
• IUPAC传统名: 1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate
• 别名: 全氟-1,10- 癸二酸二甲酯; Dimethyl perfluoro-1,10-decanedicarboxylate; Dimethyl perfluorodecane-1,10-dicarboxylate 96%; Eicosafluorododecanedioic acid dimethyl ester; Perfluoro-1,10-decanedicarboxylic acid dimethyl ester; Dimethyl perfluoro-1,10-decanedicarboxylate

登记号

• CAS号: 84750-88-9
• MDL号: MFCD00236606
• PubChem SID: 160972730
• PubChem CID: 2737119

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.034464
• LogD (pH = 7.4): 7.034464
• Log P: 7.034464
• 摩尔折射率: 70.6568 cm^3
• 极化性: 28.351791 Å^3
• 极化表面积: 52.6 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: 31-38°C; 33-40°C

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: 95%; 96%