4,7-二溴苯并呋咱 | 54286-63-4

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 中文名称: 4,7-二溴苯并呋咱
• 中文别名: 4,7-二溴-2,1,3-苯并噁二唑；4,7-二溴-2,1,3-苯噁二唑；4,7-二溴-2,1,3-苯并恶二唑
• 英文名称: 4,7-dibromobenzo[c][1,2,5]oxadiazole
• 英文别名: 4,7-dibromo-2,1,3-benzooxadiazole；4,7-dibromo-2,1,3-benzoxadiazole；4,7-dibromobenzofurazan
• CAS: 54286-63-4
• 化学式: C₆H₂Br₂N₂O
• 分子量: 277.903
• InChiKey: ZUGAIWASFADONS-UHFFFAOYSA-N

物化性质

• 熔点：
  113 °C
• 沸点：
  312.4±45.0 °C(Predicted)
• 密度：
  2.220±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲苯

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 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：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4,7-二溴苯并呋咱 在 palladium diacetate 叔丁基过氧化氢 、 碳酸氢钠 、 三(邻甲基苯基)磷 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 5.83h， 生成 4-diphenylphosphoryl-7-methylthio-2,1,3-benzoxadiazole
  参考文献：
  名称：

  Fluorescence enhancement by hydroperoxides based on a change in the intramolecular charge transfer character of benzofurazan

  摘要：

  新型试剂与氢过氧化物反应后，观察到强烈的荧光信号。

  DOI：

  10.1039/b500419e
• 作为产物：
  描述：

  甲基硝基苯 在 吗啉 、 sodium hypochlorite 、 四丁基溴化铵 、 溴 、 铁粉 、 sulfur 、 sodium hydroxide 作用下， 以 乙醚 、 乙二醇 为溶剂， 生成 4,7-二溴苯并呋咱
  参考文献：
  名称：

  D?A?D low band gap molecule containing triphenylamine and benzoxadiazole/benzothiadiazole units: Synthesis and photophysical properties

  摘要：

  Two D-A-D-type low band gap organic dyes based on triphenylamine and benzoxadiazole/benzothiadiazole, 4,7-Bis{5-{4-{2-[4-(N,N-diphenylamino)phenyl]-1-nitrilethenyl}phenyl}-2-thienyl}-2,1,3-benzoxadiazole (BDNTBX) and 4,7-Bis{5-{4-{2-[4-(N,N-diphenylamino)phenyl]-1-nitrilethenyl}phenyl}-2-thienyl}-2,1,3-benzothiadiazole (BDNTBT) were successfully synthesized. The properties of two compounds were investigated by density functional theory (DFT) calculations, UV-vis absorption spectroscopy, cyclic voltammetry and fluorescence quenching experiment. The calculated ground-state geometries demonstrate intramolecular charge transfer (ICE) occurs in both molecules during the procedure of charge excitation from HOMO to LUMO. From the data in electrochemistry and fluorescence quenching experiments, the molecules reveal lower HOMO energy levels compared with that of P3HT and proper LUMO energy levels to obtain efficient charge separation with PCBM. Two synthesized compounds exhibit broad absorption range covering the whole visible spectral region. These photophysical and electrochemical properties call attention to that our materials are prospective candidates as donor materials for solution-processable organic photovoltaic cells. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.04.001

文献信息

• Structural Design Principle of Small-Molecule Organic Semiconductors for Metal-Free, Visible-Light-Promoted Photocatalysis
  作者：Lei Wang、Wei Huang、Run Li、Dominik Gehrig、Paul W. M. Blom、Katharina Landfester、Kai A. I. Zhang

  DOI：10.1002/anie.201603789

  日期：2016.8.8

  on the structural design principle of small‐molecule organic semiconductors as metal‐free, pure organic and visible light‐active photocatalysts. Two series of electron‐donor and acceptor‐type organic semiconductor molecules were synthesized to meet crucial requirements, such as 1) absorption range in the visible region, 2) sufficient photoredox potential, and 3) long lifetime of photogenerated excitons

  在此，我们报告了小分子有机半导体作为无金属，纯有机和可见光活性光催化剂的结构设计原理。合成了两个系列的电子给体和受体型有机半导体分子以满足关键要求，例如1）可见光区域的吸收范围，2）足够的光氧化还原电势和3）光生激子的寿命长。在富含丙二酸酯衍生物的富电子杂芳族化合物的分子间CH官能化中证明了光催化活性。描述了光诱导电子在有机光催化剂，底物和牺牲剂之间传输的机理。凭借其可调的吸收范围和定义的能带结构，
• [EN] NARROW ABSORPTION POLYMER NANOPARTICLES AND RELATED METHODS<br/>[FR] NANOPARTICULES DE POLYMÈRES À ABSORPTION ÉTROITE ET PROCÉDÉS ASSOCIÉS
  申请人：UNIV WASHINGTON

  公开号：WO2020060937A1

  公开（公告）日：2020-03-26

  Polymers, monomers, narrow-band absorbing polymers, narrow-band absorbing monomers, absorbing units, polymer dots, and related methods are provided. Bright, luminescent polymer nanoparticles with narrow-band absorptions are provided. Methods for synthesizing absorbing monomers, methods for synthesizing the polymers, preparation methods for forming the polymer nanoparticles, and applications for using the polymer nanoparticles are also provided.

  提供了聚合物、单体、窄带吸收聚合物、窄带吸收单体、吸收单元、聚合物点以及相关方法。提供了具有窄带吸收的明亮、发光的聚合物纳米颗粒。还提供了合成吸收单体的方法、合成聚合物的方法、形成聚合物纳米颗粒的制备方法，以及使用聚合物纳米颗粒的应用。
• Effect of single atom substitution in benzochalcogendiazole acceptors on the performance of ternary memory devices
  作者：Zhaojun Liu、Jinghui He、Hao Zhuang、Hua Li、Najun Li、Dongyun Chen、Qingfeng Xu、Jianmei Lu、Keqin Zhang、Lihua Wang

  DOI：10.1039/c5tc02274f

  日期：——

  Ternary memory storage performances of three benzochalcogendiazole derivative based devices clearly demonstrate the effect of single atom substitution on the molecular planarity, film morphologies and device threshold voltages.

  三种基于三苯硫族二唑衍生物的三元存储性能明显展示了单个原子取代对分子平面性、薄膜形貌和器件阈值电压的影响。
• Effects of including electron-withdrawing atoms on the physical and photovoltaic properties of indacenodithieno[3,2-b]thiophene-based donor–acceptor polymers: towards an acceptor design for efficient polymer solar cells
  作者：Ping Cai、Xiaofeng Xu、Jiangman Sun、Junwu Chen、Yong Cao

  DOI：10.1039/c7ra01049d

  日期：——

  Three new D–A polymers using indacenodithieno[3,2-b]thiophene (IDTT) as an electron-rich unit and benzoxadiazole (BO), benzodiathiazole (BT) or difluorobenzothiadiazole (FBT) as an electron-deficient unit were synthesized and applied in solar cells.

  以茚并二噻吩并[3,2-b]噻吩（IDTT）为富电子单元，苯并噁二唑（BO）、苯并二噻唑（BT）或二氟苯并噻二唑（FBT）为缺电子单元，合成了三种新型 D-A 聚合物，并将其应用于太阳能电池。
• CONJUGATED POLYMERS CONTAINING SPIROBIFLUORENE UNITS AND THE USE THEREOF
  申请人：Becker Heinrich

  公开号：US20070265473A1

  公开（公告）日：2007-11-15

  The present invention relates to novel conjugated polymers comprising spirobifluorene units and their use in optoelectronic devices, preferably in, for example, displays based on polymeric organic light-emitting diodes.

  本发明涉及包含螺二芴单元的新型共轭聚合物及其在光电子器件中的应用，优选地，例如在基于聚合物有机发光二极管的显示器中。

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