1,3,5-tribromo-1,6-dichloro-1,2,2,3,4,4,5,6,6-nonafluorohexane

• ChemBase编号: 7822
• 分子式: C6Br3Cl2F9
• 平均质量: 553.6678288
• 单一同位素质量: 549.67834534
• SMILES: ClC(C(C(C(C(C(Cl)(F)Br)(F)F)(F)Br)(F)F)(F)Br)(F)F
• Canonical SMILES: FC(C(C(C(C(Br)(Cl)F)(F)F)(Br)F)(F)F)(C(Cl)(F)F)Br
• InChI: InChI=1S/C6Br3Cl2F9/c7-1(12,4(16,17)5(9,10)18)3(14,15)2(8,13)6(11,19)20
• InChIKey: QJQQQFAGKHFLNC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,5-tribromo-1,6-dichloro-1,2,2,3,4,4,5,6,6-nonafluorohexane
• IUPAC传统名: 1,3,5-tribromo-1,6-dichloro-1,2,2,3,4,4,5,6,6-nonafluorohexane
• 别名: 1,3,5-Tribromo-1,6-dichlorononafluorohexane; 1,6-Dichlorononafluoro-1,3,5-tribromohexane 97%

登记号

• CAS号: 81059-82-7
• MDL号: MFCD02093302
• PubChem SID: 160971129
• PubChem CID: 2776848

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.4055414
• LogD (pH = 7.4): 6.4055414
• Log P: 6.4055414
• 摩尔折射率: 64.3243 cm^3
• 极化性: 25.344748 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant
• TSCA收录: false