1,1,1,2,2,3,3-heptafluoro-3-{[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy}propane

• ChemBase编号: 12089
• 分子式: C8HF17O2
• 平均质量: 452.0651944
• 单一同位素质量: 451.97050901
• SMILES: O(C(C(F)(F)F)F)C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
• InChI: InChI=1S/C8HF17O2/c9-1(2(10,11)12)26-8(24,25)4(15,6(19,20)21)27-7(22,23)3(13,14)5(16,17)18/h1H
• InChIKey: PYSYKOPZHYNYSZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3-heptafluoro-3-{[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy}propane
• IUPAC传统名: 1,1,1,2,2,3,3-heptafluoro-3-{[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy}propane
• 别名: 2H-全氟(5-甲基-3,6-二氧杂壬烷); 2H-Perfluoro-5-methyl-3,6-dioxanonane; 2H-Perfluoro-5-methyl-3,6-dioxanonane 97%; Fluoroether E2; 2H-Heptadecafluoro-5-methyl-3,6-dioxanonane; 2H-Perfluoro-5-methyl-3,6-dioxanonane

登记号

• CAS号: 3330-14-1
• MDL号: MFCD00054714
• PubChem SID: 160975396
• PubChem CID: 102982

理论计算性质

• Acid pKa: 18.865005
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.3663034
• LogD (pH = 7.4): 6.3663034
• Log P: 6.3663034
• 摩尔折射率: 45.6101 cm^3
• 极化性: 17.748287 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -122°C; -122°C
• 沸点: 103-105°C; 103-105°C
• 闪点: None
• 密度: 1.659
• 折射率: 1.257; 1.2598; 1.3005

安全信息

• 保存注意事项: IRRITANT; Irritant
• 安全公开号: 23
• TSCA收录: false; 是

产品相关信息

• 纯度: 97%