CAS: 952514-79-3; (4-(1-Phenyl-1H-Benzo[d]Imidazol-2-yl)Phenyl)Boronic Acid

• 英文名称(4-(1-Phenyl-1H-Benzo[d]Imidazol-2-yl)Phenyl)Boronic Acid
• 中文名称B-[4-(1-苯基-1H-苯并咪唑-2-基)苯基]硼酸
• IUPAC名称(4-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid
• 其它别名1-苯基-2-(4-苯基硼酸)-苯并咪唑; Boronic Acid, B-[4-(1-Phenyl-1H-Benzimidazol-2-yl)Phenyl]-
• CAS编号952514-79-3
• MFCD编号:MFCD11045057
• EINECS号:808-176-8
• 分子式:C19H15BN2O2
• 分子量:314.15
• 产品CID: 2005516
• 产品分类有机原料→分子砌块→芳杂环类化合物→苯并咪唑类化合物

• 相似结构搜索
• InChIKey: PBSIVXAPTBHFFV-UHFFFAOYSA-N
• InChI=1S/C19H15BN2O2/c23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13,23-24H…
• 计算化学: 氢键受体数4.0氢键供体数2可旋转键数3

相似化合物

物理性质

• 沸点572.6±60.0 °C at 760 mmHg
• 闪点300.1±32.9 °C
• 密度1.2±0.1 g/cm3
• pKa:8.47±0.17(预测)
• PSA:58.28
• LogP:2.3723
• 折射率1.640
• 蒸汽压0.0±1.7 mmHg at 25°C
• 溶解性Soluble In Methanol
• 外观形态白色至淡黄色至浅橙色粉末至晶体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi

欧盟法规

上下游产品

合成工艺路线路线简述

• 2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; 1 H,-78 °C1.2 Reagents: Triisopropyl Borate; 1 H,-78 °C; -78 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 4 - 5,Rt
  标题:Preparation Of Benzo[g]Isoquinoline Compounds And Their Application In Organic Electroluminescent Device
  参考文献:China]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; Rt -> -78 °C; 1.5 H,-78 °C1.2 Reagents: Triisopropyl Borate; -78 °C; Overnight,-78 °C -> Rt
  标题:Heterocyclic Compound And Its Application In Organic Electroluminescent Device
  参考文献:China]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Cyclohexane; -78 °C; 1 H,-78 °C1.2 Reagents: Triethyl Borate; 2 H,-78 °C; 10 H,-78 °C -> Rt; Rt -> 0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; 0 °C
  标题:Preparation Of 1,3,4-Thiadiazole Based Bipolar Compounds And Their Application In Oled
  参考文献:China]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; 1 H,-78 °C; 2 H,-78 °C1.2 Reagents: Trimethyl Borate; 1 H,-78 °C; Overnight,-78 °C; -78 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 5 H1.4 Reagents: Sodium Carbonate; Neutralized
  标题:Spin-Coated Highly Efficient Phosphorescent Organic Light-Emitting Diodes Based On Bipolar Triphenylamine-Benzimidazole Derivatives
  作者:Ge,Ziyi; Hayakawa,Teruaki; Ando,Shinji; Ueda,Mitsuru; Akiike,Toshiyuki; Et Al
  参考文献:Advanced Functional Materials 日期:2008 卷标:18(4) 页码:584-590]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; -78 °C; 1 H,-78 °C1.2 Reagents: Triisopropyl Borate; -78 °C; 1 H,-78 °C; -78 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 4 - 5
  标题:Preparation Of Aromatic Heterocycle Derivatives As Organic Electroluminescent Device Materials
  参考文献:World Intellectual Property Organization]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium,Triisopropyl Borate Solvents: Tetrahydrofuran,Hexane; -78 °C; 1 H,-78 °C; Overnight,-78 °C -> Rt
  标题:Organic Light Emitting Device
  参考文献:China]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium,Triisopropyl Borate Solvents: Tetrahydrofuran,Hexane; Rt -> -78 °C; 1 H,-78 °C; Overnight,-78 °C -> Rt
  标题:Preparation Of Benzimidazole Derivatives As Electron Transport Materials
  参考文献:China]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 30 Min,-78 °C; 30 Min,-78 °C1.2 Reagents: Trimethyl Borate; 30 Min,-78 °C; Overnight,-78 °C; -78 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 5 H,Rt1.4 Reagents: Sodium Carbonate; 10 Min,Neutralized,Rt
  标题:Quinazoline Derivative Composition For Electronic Film And Device
  参考文献:Japan]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Potassium Acetate,Bis(Pinacolato)Diborane Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dimethyl Sulfoxide; 24 H,180 °C
  标题:Nitrogen-Containing Heterocyclic Compounds And Organic Light-Emitting Device Including The Heterocyclic Compounds As Electron-Transporting Layer
  参考文献:United States]
  
  = 952514-79-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 30 Min,Rt
  标题:Process For The Preparation Of Benzimidazoles Containing Boronic Acid Functionality Through Metal-Free Aerobic Oxidation
  参考文献:Korea]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium,Trimethyl Borate1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Using A Double-Doping Strategy To Prepare A Bilayer Device Architecture For High-Efficiency Red Pholeds
  作者:Kao,Ming-Tzu; Hung,Wen-Yi; Tsai,Zhen-Han; You,Hong-Wei; Chen,Hsiao-Fan; Et Al
  参考文献:Journal Of Materials Chemistry 日期:2011 卷标:21(6) 页码:1846-1851]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; 1 H,-78 °C1.2 Reagents: Triisopropyl Borate; 1 H,-78 °C; -78 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 4 - 5
  标题:Preparation Of Heteroaryl Compounds As Electroluminescent Materials
  参考文献:World Intellectual Property Organization]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C1.2 Reagents: Trimethyl Borate; -78 °C; 2 H,-78 °C1.3 Reagents: Water; 20 Min1.4 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,Acidified
  标题:Preparation Of 13,14-Dihydro-14,14-Dimethylbenz[c]Indeno[2,1-A]Carbazoles As Electroluminescent Materials
  参考文献:China]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; 0.5 H,-78 °C1.2 -78 °C; 2 H,-78 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; 20 Min,Acidified
  标题:Preparation Of Symmetrical Phenanthroimidazole Host Materials Useful For Producing Electroluminescent Devices
  参考文献:China]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; Rt; 1 H,Rt1.2 Reagents: Trimethyl Borate; 10 H,Rt
  标题:Electron-Transporting Triazine Derivatives And Organic Electroluminescent Devices Using The Same
  参考文献:Korea]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; Rt; 1 H,Rt1.2 Reagents: Trimethyl Borate; 10 H,Rt
  标题:Novel Organic Electroluminescent Compounds And Organic Electroluminescent Device Using The Same
  参考文献:World Intellectual Property Organization]
  
  2620-76-0 = 952514-79-3
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; -78 °C; 30 Min,-78 °C1.2 Reagents: Trimethyl Borate; -78 °C; 2 H,-78 °C
  标题:An Organic Compound And Electroluminescent Device Using The Organic Compound
  参考文献:China

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