3-Bromoquinoline hydrochloride | 90224-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-Bromoquinoline hydrochloride
• 英文别名: 3-bromoquinoline;hydrochloride
• CAS: 90224-68-3
• 化学式: C9H7BrClN
• 分子量: 244.51
• InChiKey: AKKZFCNOSXJBOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.42
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-溴喹啉 在 盐酸 作用下， 以 水 为溶剂， 生成 3-Bromoquinoline hydrochloride
  参考文献：
  名称：

  10.1002/smll.202400549

  摘要：

  AbstractA large optical anisotropy is the most important parameter of birefringent crystals. Integrating π‐conjugated groups with large polarizable anisotropy into target compounds is a common strategy for constructing brilliant birefringent crystals. However, the key problem is to enhance the density of the birefringence‐active units and further arrange them parallelly. In this study, three novel birefringent crystals, C9H7NBrX (X = Cl, Br, NO3), are successfully synthesized by introducing a new birefringence‐active [C9H7NBr]+ unit. Interestingly, these compounds feature similar layered structures but exhibit different optical anisotropies at 550 nm (0.277 for C9H7NBrCl, 0.328 for C9H7NBrBr, and 0.401 for C9H7NBrNO3) owing to the different anions in them. Particularly, the small trigonal planar NO3 anions perfectly fill the interstices of the π‐conjugated [C9H7NBr]+ groups with large optical anisotropy, with the resulting compound C9H7NBrNO3 showing superior optical properties compared to the others. The above findings provide strategies for designing new optical materials with large birefringence by matching birefringence‐active groups of different sizes. Additionally, a new theory for predicting and comparing the polarizability anisotropy of compounds is proposed, which would guide in exploring large birefringent crystals.

  DOI：

  10.1002/smll.202400549