1,4-dibromo-2,3-difluorobenzene

• ChemBase编号: 166962
• 分子式: C6H2Br2F2
• 平均质量: 271.8848864
• 单一同位素质量: 269.8491305
• SMILES: c1cc(c(c(c1Br)F)F)Br
• Canonical SMILES: Fc1c(Br)ccc(c1F)Br
• InChI: InChI=1S/C6H2Br2F2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
• InChIKey: RGXGEFSBDPGCEU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-dibromo-2,3-difluorobenzene
• IUPAC传统名: 1,4-dibromo-2,3-difluorobenzene
• 别名: 1,4-Dibromo-2,3-difluorobenzene

登记号

• CAS号: 156682-52-9
• PubChem SID: 162261095
• PubChem CID: 18462393

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.796155
• LogD (pH = 7.4): 3.796155
• Log P: 3.796155
• 摩尔折射率: 41.7364 cm^3
• 极化性: 16.112804 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - D425340

1,4-Dibromo-2,3-difluorobenzene is a halogenated benzene used in the preparation of various biologically active compounds such as non-nucleoside reverse transcriptase inhibitors. 1,4-Dibromo-2,3-difluorobenzene is also used in the synthesis of conjugated

参考文献

• Sweeney, Z.K. et al.: ChemMedChem, 4, 88 (2009)
• Li, Z. et al.: J. Mat. Chem., 21, 3226 (2009)