4-Bromo-7-thiophen-2-yl-2,1,3-benzoxadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 英文名称: 4-Bromo-7-thiophen-2-yl-2,1,3-benzoxadiazole
• 英文别名: 4-bromo-7-thiophen-2-yl-2,1,3-benzoxadiazole
• 化学式: C₁₀H₅BrN₂OS
• 分子量: 281.13
• InChiKey: MQHHVCAUNWMPLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Polymer compound and its use in photovoltaic devices
  申请人：LANXESS Deutschland GmbH

  公开号：EP2730633A1

  公开（公告）日：2014-05-14

  The present invention relates to a polymer compound and a photovoltaic conversion device using the same having the general formula (I'): wherein R1, R2, R3, R4, R5, R6 are the same or mutually different and represent a hydrogen atom, a halogen atom, an alkyl group, an alkoxy group, an alkylthio group, an aryl group, an aryloxy group, an arylthio group, an arylalkyl group, an arylalkoxy group, an arylalkylthio group, an arylalkenyl group, an arylalkynyl group, a heterocyclic group, preferably a mono-valent heterocyclic group, a heterocyclic group with at least one sulphur atom, an amino group, a substituted amino group, a silyl group, a substituted silyl group, an acyl group, an acyloxy group, an imine group, an amide group, an acid imide group, a carboxyl group, a substituted carboxyl group, a cyano group or a nitro group, and EG-1 and EG-2 are the end groups of the polymer compound and independent from each other are represented by hydrogen, halogen, trialkylstannyl (-Sn(Alkyl)3), boronic acid (-B(OH)2), boronic ester (-B(OAlkyl)2) or an aryl unit, X represents wherein Y = N-R7 or CR8R9,, k is a number of linearly linked thiophene units integrated in the repeating unit, preferably an integer from 0 to 3, n is the number of repeating units, preferably from 2 to 2000 and R7, R8, R9 have the same meanings as R1, R2, R3, R4, R5 or R6.

  本发明涉及一种聚合物化合物和一种使用该聚合物化合物的光伏转换装置，其通式为 (I')： 其中 R1、R2、R3、R4、R5、R6 相同或互不相同，代表氢原子、卤素原子、烷基、烷氧基、烷硫基、芳基、芳氧基、芳硫基、芳烷基、芳烷氧基、芳烷硫基、芳烯基、芳炔基、杂环基、最好是单价杂环基、至少有一个硫原子的杂环基、氨基、取代氨基、硅基、取代硅基、酰基、酰氧基、亚胺基、酰胺基、酸亚胺基、羧基、取代羧基、氰基或硝基，以及 EG-1 和 EG-2 是聚合物化合物的末端基团，各自由氢、卤素、三烷基锡基 (-Sn(烷基)3)、硼酸 (-B(OH)2)、硼酸酯 (-B(OAlkyl)2) 或芳基单元代表、 X 代表 其中 Y = N-R7 或 CR8R9，、 k 是集成在重复单元中的线性连接的噻吩单元的数目，最好是 0 至 3 之间的整数、 n 是重复单元的数目，最好是 2 至 2000 个 R7、R8、R9 的含义与 R1、R2、R3、R4、R5 或 R6 相同。