1,1,2,3,3,4,5,5,6-nonafluoro-2,4,6-tris(trifluoromethyl)cyclohexane

• ChemBase编号: 6647
• 分子式: C9F18
• 平均质量: 450.0675576
• 单一同位素质量: 449.97125796
• SMILES: C1(C(C(C(C(C1(F)C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)C(F)(F)F)(F)F
• Canonical SMILES: FC(C1(F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9F18/c10-1(7(19,20)21)4(13,14)2(11,8(22,23)24)6(17,18)3(12,5(1,15)16)9(25,26)27
• InChIKey: MGOFOLPXKULBGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,3,3,4,5,5,6-nonafluoro-2,4,6-tris(trifluoromethyl)cyclohexane
• IUPAC传统名: 1,1,2,3,3,4,5,5,6-nonafluoro-2,4,6-tris(trifluoromethyl)cyclohexane
• 别名: 全氟-1,3,5-三己基环己胺,异构体的混合物, tech.; Perfluoro-1,3,5-trimethylcyclohexane; Perfluoro(1,3,5-trimethylcyclohexane) 90%; Perfluoro-1,3,5-trimethylcyclohexane, mixture of isomers, tech.

登记号

• CAS号: 374-76-5
• EC号: 000-000-0
• MDL号: MFCD00066614
• PubChem SID: 160969954
• PubChem CID: 2776392

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.5207934
• LogD (pH = 7.4): 5.5207934
• Log P: 5.5207934
• 摩尔折射率: 42.8343 cm^3
• 极化性: 17.27029 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -68°C; -68°C
• 沸点: 125°C; 125-128°C; 128°C
• 闪点: none°C
• 密度: 1.888
• 折射率: 1.2970; 1.2973

安全信息

• 保存注意事项: Irritant
• TSCA收录: false; 否

产品相关信息

• 纯度: 90%