1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

• ChemBase编号: 8728
• 分子式: C8Br2F16
• 平均质量: 559.8680512
• 单一同位素质量: 557.81112552
• SMILES: C(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)(F)F
• Canonical SMILES: FC(C(C(C(Br)(F)F)(F)F)(F)F)(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8Br2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26
• InChIKey: LYRJPHOHVRHNQH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
• IUPAC传统名: 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
• 别名: 1,8-Dibromoperfluorooctane; 1,8-Dibromoperfluorooctane 96%

登记号

• CAS号: 812-58-8
• MDL号: MFCD00153111
• PubChem SID: 160972035
• PubChem CID: 2736786

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.9996924
• LogD (pH = 7.4): 6.9996924
• Log P: 6.9996924
• 摩尔折射率: 56.1638 cm^3
• 极化性: 22.451044 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: 40°C
• 沸点: 180°C
• 闪点: none°C
• 密度: >1.800

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 96%