1-(4-bromophenyl)-4-propylbenzene

• ChemBase编号: 163028
• 分子式: C15H15Br
• 平均质量: 275.1836
• 单一同位素质量: 274.03571248
• SMILES: C(Cc1ccc(cc1)c1ccc(cc1)Br)C
• Canonical SMILES: CCCc1ccc(cc1)c1ccc(cc1)Br
• InChI: InChI=1S/C15H15Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3
• InChIKey: DPERLOMMOVDOHH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-bromophenyl)-4-propylbenzene
• IUPAC传统名: 1-(4-bromophenyl)-4-propylbenzene
• 别名: 4-Bromo-4'-propyl-1,1'-biphenyl; 4-Bromo-4'-propylbiphenyl

登记号

• CAS号: 58743-81-0
• PubChem SID: 162257163
• PubChem CID: 619019

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.7917824
• LogD (pH = 7.4): 5.7917824
• Log P: 5.7917824
• 摩尔折射率: 73.0602 cm^3
• 极化性: 29.358873 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - B686630

An intermediate used in the synthesis of a series of cyanobiphenyls which are liquid crystal materials.

参考文献

• Gray, G., et al.: J. Chem. Soc., Perkin Trans. 2., 1, 97 (1976)