1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane; 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(trifluoromethyl)propane

• ChemBase编号: 150606
• 分子式: C10H6F18O2
• 平均质量: 500.1246976
• 单一同位素质量: 500.00803739
• SMILES: COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F.COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F.COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/2C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12;1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h2*1H3
• InChIKey: SXYHZEQKWNODPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane; 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(trifluoromethyl)propane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane; 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(trifluoromethyl)propane
• 别名: 九氟甲氧基丁烷; 甲基九氟丁醚; 甲氧基九氟丁烷; 甲氧基全氟丁烷; 甲基九氟丁醚; HFE-7100; Methoxynonafluorobutane; Methoxyperfluorobutane; Nonafluorobutyl methyl ether; Nonafluoromethoxybutane; Methoxyperfluorobutane

登记号

• Beilstein号: 8768491
• PubChem SID: 24870162; 162244767
• PubChem CID: 16213080

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.0674062
• LogD (pH = 7.4): 3.0674062
• Log P: 3.0674062
• 摩尔折射率: 28.6378 cm^3
• 极化性: 10.806019 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -135 °C(lit.)
• 沸点: 60 °C(lit.)
• 密度: 1.52 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.3(lit.)

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 99%
• 线性分子式: CH3OCF2R, R = -CF2CF2CF3 or -CF(CF3)2

详细说明

Sigma Aldrich - 464309

包装
100, 500 mL in glass bottle