2-bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene

• ChemBase编号: 11849
• 分子式: C6H2BrF9
• 平均质量: 324.9697088
• 单一同位素质量: 323.91961604
• SMILES: C=C(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Br
• Canonical SMILES: BrC(=C)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6H2BrF9/c1-2(7)3(8,5(11,12)13)4(9,10)6(14,15)16/h1H2
• InChIKey: KCLFCDSPXJFUKO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene
• IUPAC传统名: 2-bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene
• 别名: 2-Bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene; 2-Bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene 97%

登记号

• CAS号: 234096-31-2
• MDL号: MFCD00153704
• PubChem SID: 160975156
• PubChem CID: 2736343

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.0996065
• LogD (pH = 7.4): 4.0996065
• Log P: 4.0996065
• 摩尔折射率: 38.3941 cm^3
• 极化性: 14.588763 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

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

产品相关信息

• 纯度: 97%