1,2,4,5-tetrafluoro-3,6-bis(pentafluoro-$l^{6}-sulfanyl)benzene

• ChemBase编号: 97767
• 分子式: C6F14S2
• 平均质量: 402.1718448
• 单一同位素质量: 401.92178708
• SMILES: S(c1c(c(c(c(c1F)F)S(F)(F)(F)(F)F)F)F)(F)(F)(F)(F)F
• Canonical SMILES: Fc1c(F)c(c(c(c1S(F)(F)(F)(F)F)F)F)S(F)(F)(F)(F)F
• InChI: InChI=1S/C6F14S2/c7-1-2(8)6(22(16,17,18,19)20)4(10)3(9)5(1)21(11,12,13,14)15
• InChIKey: ZGJYJNYANHLEHS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,4,5-tetrafluoro-3,6-bis(pentafluoro-$l^{6}-sulfanyl)benzene
• IUPAC传统名: 1,2,4,5-tetrafluoro-3,6-bis(pentafluoro-$l^{6}-sulfanyl)benzene
• 别名: 1,4-Bis(pentafluorothio)-2,3,5,6-tetrafluorobenzene; 1,4-Bis(pentafluorothio)perfluorobenzene

登记号

• CAS号: 1219501-60-6
• MDL号: MFCD18071069
• PubChem SID: 162084321
• PubChem CID: 53395388

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.3698
• LogD (pH = 7.4): 6.3698
• Log P: 6.3698
• 摩尔折射率: 52.2808 cm^3
• 极化性: 18.793459 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 129-130°C

安全信息

• 保存注意事项: Flammable/Harmful/Irritant