methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

• ChemBase编号: 6666
• 分子式: C10H3F17O4
• 平均质量: 510.1012744
• 单一同位素质量: 509.97598832
• SMILES: O=C(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)OC
• Canonical SMILES: COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C10H3F17O4/c1-29-2(28)3(11,6(15,16)17)30-10(26,27)5(14,8(21,22)23)31-9(24,25)4(12,13)7(18,19)20/h1H3
• InChIKey: UMADKHFVSXRTGY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
• IUPAC传统名: methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
• 别名: 全氟(2,5-二甲基-3,6-二氧杂壬酸)甲酯; Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester; Methyl perfluoro-2,5-dimethyl-3,6-dioxanonanoate 97%; Methyl 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoate; Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester; HFPO trimer carbomethoxylate; Methyl perfluoro-2,5-dimethyl-3,6-dioxanonanoate

登记号

• CAS号: 26131-32-8
• EC号: 000-000-0
• MDL号: MFCD00054723
• PubChem SID: 160969973
• PubChem CID: 141268

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.5288663
• LogD (pH = 7.4): 6.5288663
• Log P: 6.5288663
• 摩尔折射率: 56.7216 cm^3
• 极化性: 22.030663 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 155-156°C; 155-156°C
• 闪点: none°C
• 折射率: <1.300

安全信息

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

产品相关信息

• 纯度: 97%