4-(3-bromo-phenyl)-3,5-diphenyl-4H-[1,2,4]triazole | 29091-57-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3-bromo-phenyl)-3,5-diphenyl-4H-[1,2,4]triazole
• 英文别名: 4-(3-Bromophenyl)-3,5-diphenyl-1,2,4-triazole
• CAS: 29091-57-4
• 化学式: C₂₀H₁₄BrN₃
• 分子量: 376.255
• InChiKey: LDUMDMTWZXLCIA-UHFFFAOYSA-N

物化性质

• 熔点：
  257-259 °C(Solv: acetic acid (64-19-7))
• 沸点：
  550.9±52.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯氧基亚磷酰二氯 、 间溴苯胺 、 二苯甲酰肼 以69%的产率得到
  参考文献：
  名称：

  CHIRIAC, C. I., REV. ROUM. CHIM., 1982, 27, N 5, 645-649

  摘要：

  DOI：

文献信息

• CHIRIAC, C. I., REV. ROUM. CHIM., 1983, 28, N 11-12, 977-980
  作者：CHIRIAC, C. I.

  DOI：——

  日期：——
• m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE
  申请人：CHENG Chien-Hong

  公开号：US20110220880A1

  公开（公告）日：2011-09-15

  An m-terphenyl derivative has a structure of formula (I) or (II): wherein A and B are five-membered heterocyclic compounds containing nitrogen, each of substituents R, R 1 and R 2 is a member independently selected from the group consisting of H, halo, cyano, trifluoromethyl, amino, C 1 -C 10 alkyl, C 2 -C 10 alkenyl, C 2 -C 10 alkynyl, C 3 -C 20 cycloalkyl, C 3 -C 20 cycloalkenyl, C 1 -C 20 heterocycloalkyl, C 1 -C 20 heterocycloalkenyl, aryl and heteroaryl. The compound of the present invention may have advantages in good electron affinity, low HOMO and thereby achieving hole blocking and may be used for electron transport material and/or electron injection material.
• ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE EMPLOYING THE SAME
  申请人：HUANG Heh-Lung

  公开号：US20130032786A1

  公开（公告）日：2013-02-07

  Organic compounds and organic electroluminescence devices employing the same are provided. The organic compound has a chemical structure represented below: wherein, R 1 are independent and can be hydrogen, or C 1-8 alkyl, and R 2 , and R 3 can be hydrogen, hydroxy, C 1-8 alkyl, C 1-8 alkoxy, C 5-10 aryl, or C 2-8 heteroaryl. The organic compounds of the disclosure have a high triplet energy (tEg) gap and apt to transmit the energy to a guest emitter.
• US8475939B2
  申请人：——

  公开号：US8475939B2

  公开（公告）日：2013-07-02
• US9178164B2
  申请人：——

  公开号：US9178164B2

  公开（公告）日：2015-11-03