7,7,8-tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

• ChemBase编号: 98134
• 分子式: C8H2Br3F13
• 平均质量: 584.7927216
• 单一同位素质量: 581.74990292
• SMILES: FC(C(F)(F)C(F)(F)C(F)(F)C(C(C(CBr)(Br)Br)(F)F)(F)F)(F)F
• Canonical SMILES: BrCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)Br
• InChI: InChI=1S/C8H2Br3F13/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2
• InChIKey: OKURPQGPBHMFLE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7,7,8-tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
• IUPAC传统名: 7,7,8-tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
• 别名: 7,7,8-Tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane; 2,2-Dibromo-2-(perfluorohex-1-yl)ethyl bromide; 2-(perfluorohex-1-yl)-1,2,2-tribromoethane; 1,2,2-Tribromo-1H,1H-tridecafluorooctane

登记号

• CAS号: 59665-25-7
• PubChem SID: 162084595
• PubChem CID: 23236470

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.0961957
• LogD (pH = 7.4): 7.0961957
• Log P: 7.0961957
• 摩尔折射率: 63.2241 cm^3
• 极化性: 25.174742 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 28-29°C
• 沸点: 116°C/1mm

安全信息

• 保存注意事项: Harmful/Irritant/Light Sensitive