3,5,7,8-tetrabromo-2,2,3,4,4,5,6,6,7,8,8-undecafluorooctanenitrile

• ChemBase编号: 97307
• 分子式: C8Br4F11N
• 平均质量: 638.6907352
• 单一同位素质量: 634.65885743
• SMILES: N#CC(C(Br)(C(C(Br)(C(F)(F)C(C(F)(Br)F)(Br)F)F)(F)F)F)(F)F
• Canonical SMILES: N#CC(C(C(C(C(C(C(Br)(F)F)(Br)F)(F)F)(Br)F)(F)F)(Br)F)(F)F
• InChI: InChI=1S/C8Br4F11N/c9-3(15,2(13,14)1-24)6(18,19)4(10,16)7(20,21)5(11,17)8(12,22)23
• InChIKey: HFCXFUSCCAPXLA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,5,7,8-tetrabromo-2,2,3,4,4,5,6,6,7,8,8-undecafluorooctanenitrile
• IUPAC传统名: 3,5,7,8-tetrabromo-2,2,3,4,4,5,6,6,7,8,8-undecafluorooctanenitrile
• 别名: 3,5,7,8-Tetrabromoperfluorooctanenitrile, tech 80%

登记号

• MDL号: MFCD00153273
• PubChem SID: 162083917
• PubChem CID: 2776551

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.597843
• LogD (pH = 7.4): 6.597843
• Log P: 6.597843
• 摩尔折射率: 71.4898 cm^3
• 极化性: 28.273565 Å^3
• 极化表面积: 23.79 Å^2
• 可自由旋转的化学键: 6
• 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