CAS: 864377-31-1; 2-(3-Bromophenyl)-4,6-Diphenyl-1,3,5-Triazine

• 英文名称2-(3-Bromophenyl)-4,6-Diphenyl-1,3,5-Triazine
• 中文名称2-(3-溴苯基)-4,6-二苯基-1,3,5-三嗪
• IUPAC名称2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine
• 其它别名2-(3'-溴-[1,1'-联苯基]-3-基)-4,6-二苯chemicalbook基-1,3,5-三嗪; Tianfu-Chem 2-(3-Bromophenyl)-4,6-Diphenyl-1,3,5-Triazine
• CAS编号864377-31-1
• MFCD编号:MFCD22200060
• EINECS号:810-986-1
• 分子式:C21H14BrN3
• 分子量:388.26
• 产品CID: 1866104
• 产品分类有机原料→分子砌块→芳杂环类化合物→三嗪类化合物

• 相似结构搜索
• InChIKey: HNZUKQQNZRMNGS-UHFFFAOYSA-N
• InChI=1S/C21H14BrN3/c22-18-13-7-12-17(14-18)21-24-19(15-8-3-1-4-9-15)23-20(25-21)16-10-5-2-6-11-16/h1-14H…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数3.0

物理性质

• 熔点174.0-178.0 °C
• 沸点573.9°C at 760 mmHg
• 闪点306.8±30.7 °C
• 密度1.4±0.1 g/cm3
• pKa:0.65±0.10(预测)
• PSA:38.67
• LogP:5.6351
• 折射率1.646
• 蒸汽压0.0±1.6 mmHg at 25°C
• 外观形态白色至几乎白色粉末至晶体
• 储存条件惰性气氛,室温
• 产品应用该化合物用于液晶材料和光电子材料的合成中间体.

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
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 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.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
• 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

• 合成目标产物 2-(3-Bromophenyl)-4,6-Diphenyl-1,3,5-Triazine 主要起始原料 3-Bromobenzaldehyde And Benzamidine Hydrochloride
• 15852-73-0 + 618-39-3 = 864377-31-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Oms 2 (Catalyst) Solvents: Toluene; 20 H,110 °C
  标题:Base-Free Synthesis Of 1,3,5-Triazines Via Aerobic Oxidation Of Alcohols And Benzamidine Over A Recyclable Oms-2 Catalyst
  作者:Shen,Jian; Et Al
  参考文献:Catalysis Communications 日期:2019 卷标:127 页码:58-63]
  
  932-77-4 + 1670-14-0 = 864377-31-1
  反应条件:1.1 Reagents: Potassium Hydroxide,S8 Solvents: Dimethyl Sulfoxide; 24 H,130 °C
  标题:An Alternatively Metal-Free Synthesis Of 1,3,5-Triazines Or 1,2,4-Thiadiazoles From Benzyl Chlorides And Benzylamines Mediated By Elemental Sulfur
  作者:Zhang,Yurong; Et Al
  参考文献:Tetrahedron Letters 日期:2019 卷标:60(49)]
  
  3132-99-8 + 1670-14-0 = 864377-31-1
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Cupric Acetate Solvents: Toluene; 24 H,100 °C
  标题:Synthesis,Spectra,And Theoretical Investigations Of 1,3,5-Triazine Compounds As Ultraviolet Rays Absorber Based On Time-Dependent Density Functional Calculations And Three-Dimensional Quantitative Structure-Property Relationship
  作者:Wang,Xueding; Et Al
  参考文献:Journal Of Fluorescence 日期:2018 卷标:28(2) 页码:707-723]
  
  1711-09-7 = 864377-31-1
  反应条件:1.1 Reagents: Aluminum Chloride,Thionyl Chloride Solvents: 1,2-Dichlorobenzene; 20 H,100 °C; 100 °C -> Rt1.2 Reagents: Ammonium Chloride; 3 H,100 °C
  标题:Non-Doped Thermally Activated Delayed Fluorescent Organic Light-Emitting Diodes Using An Intra- And Intermolecular Exciplex System With A Meta-Linked Acridine-Triazine Conjugate
  作者:Jeong,Seongjin; Et Al
  参考文献:Journal Of Materials Chemistry C: Materials For Optical And Electronic Devices 日期:2018 卷标:6(34) 页码:9049-9054]
  
  1711-09-7 = 864377-31-1
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Aluminum Chloride Solvents: 1,2-Dichlorobenzene; 1 H,100 °C1.2 Reagents: Ammonium Chloride; 19 H,100 °C
  标题:New Polymer Matrix System For Phosphorescent Organic Light-Emitting Diodes And The Role Of The Small Molecular Co-Host
  作者:Salert,Beatrice Ch. D.; Et Al
  参考文献:Journal Of Polymer Science 日期:2013 卷标:51(3) 页码:601-613

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管