1,2,3,4-tetrachloro-1,2,3,4,5,5-hexafluorocyclopentane

• ChemBase编号: 97580
• 分子式: C5Cl4F6
• 平均质量: 315.8559192
• 单一同位素质量: 313.86583004
• SMILES: FC1(C(C(F)(C(C1(Cl)F)(Cl)F)Cl)(Cl)F)F
• Canonical SMILES: FC1(F)C(F)(Cl)C(C(C1(F)Cl)(F)Cl)(F)Cl
• InChI: InChI=1S/C5Cl4F6/c6-1(10)2(7,11)4(9,13)5(14,15)3(1,8)12
• InChIKey: SQOAFOCEKCANLU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,3,4-tetrachloro-1,2,3,4,5,5-hexafluorocyclopentane
• IUPAC传统名: 1,2,3,4-tetrachloro-1,2,3,4,5,5-hexafluorocyclopentane
• 别名: 1,1,2,3,4,5-Hexafluoro-2,3,4,5-tetrachlorocyclopentane 98%

登记号

• CAS号: 1453-38-9
• MDL号: MFCD00042312
• PubChem SID: 162084179
• PubChem CID: 2775044

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.2369223
• LogD (pH = 7.4): 5.2369223
• Log P: 5.2369223
• 摩尔折射率: 43.014 cm^3
• 极化性: 16.867563 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: none°C

安全信息

• 保存注意事项: Irritant