1,1,2,2,3,3,4,4,5-nonafluoro-5-(trifluoromethyl)cyclopentane

• ChemBase编号: 6445
• 分子式: C6F12
• 平均质量: 300.0450384
• 单一同位素质量: 299.98083864
• SMILES: C1(C(C(C(C1(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C1(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F12/c7-1(6(16,17)18)2(8,9)4(12,13)5(14,15)3(1,10)11
• InChIKey: BCNXQFASJTYKDJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,5-nonafluoro-5-(trifluoromethyl)cyclopentane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5-nonafluoro-5-(trifluoromethyl)cyclopentane
• 别名: Perfluoro(methylcyclopentane); Perfluoro(methylcyclopentane) 90%

登记号

• CAS号: 1805-22-7
• MDL号: MFCD00066611
• PubChem SID: 160969752
• PubChem CID: 74546

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.9421926
• LogD (pH = 7.4): 3.9421926
• Log P: 3.9421926
• 摩尔折射率: 28.2821 cm^3
• 极化性: 11.511321 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 48°C
• 闪点: none°C

安全信息

• 保存注意事项: Irritant
• TSCA收录: false

产品相关信息

• 纯度: 90%