CAS: 96761-85-2; 3,3''-Dibromo-5'-(3-Bromophenyl)-1,1':3',1''-Terphenyl

• 英文名称3,3''-Dibromo-5'-(3-Bromophenyl)-1,1':3',1''-Terphenyl
• 中文名称3,3''-二溴-5'-(3-溴苯基)-1,1':3',1''-三联苯
• IUPAC名称3,3''-dibromo-5'-(3-bromophenyl)-1,1':3',1''-terphenyl
• 其它别名1,3,5-三(3-溴苯基)苯; 1,3,5-Tris(3-Bromophenyl)Benzene
• CAS编号96761-85-2
• MFCD编号:MFCD02323390
• 分子式:C24H15Br3分子量:543.09
• 产品CID: 2018756
• 产品分类有机原料→材料科学→COF有机单体→含卤素COF单体

• 相似结构搜索
• InChIKey: JKCQADHKVQXKFF-UHFFFAOYSA-N
• InChI=1S/C24H15Br3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H
• 计算化学: 氢键受体数*氢键供体数0可旋转键数3

相似化合物

物理性质

• 熔点170.0-174.0 °C
• 沸点553.9±45.0 °C at 760 mmHg
• 闪点277.1±23.5 °C
• 密度1.6±0.1 g/cm3
• LogP:8.9751
• 折射率1.659
• 蒸汽压0.0±1.4 mmHg at 25°C
• 溶解性Soluble In Toluene
• 外观形态白色至几乎白色粉末至晶体
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 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
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

上下游产品

合成工艺路线路线简述

• 合成目标产物 1,3,5-Tris(3-Bromophenyl)Benzene 主要起始原料 3'-Bromoacetophenone
• 2142-63-4 = 96761-85-2
  反应条件:1.1 Catalysts: 4-Dodecylbenzenesulfonic Acid; 4 H,130 °C
  标题:Dbsa Catalyzed Cyclotrimerization Of Acetophenones: An Efficient Synthesis Of 1,3,5-Triarylbenzenes Under Solvent-Free Conditions
  作者:Prasad,Davinder; Preetam,Amreeta; Nath,Mahendra
  参考文献:Comptes Rendus Chimie 日期:2013 卷标:16(3) 页码:252-256]
  
  766-81-4 = 96761-85-2
  反应条件:1.1 Reagents: Diboronic Acid Catalysts: Dichloro[1,2-Di(Methoxy-Ko)Ethane]Nickel Solvents: Acetonitrile; Rt; 12 H,100 °C
  标题:Preparation Of 1,3,5-Trisubstituted Aryl Compounds
  参考文献:China]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Catalysts: Thionyl Chloride Solvents: Ethanol; Rt; 1 H,Reflux1.2 Reagents: Sodium Carbonate Solvents: Water; Neutralized
  标题:Simple And Convenient Synthesis Of 1,3,5-Triarylbenzenes From Ketones
  作者:Hu,Huanan; Zhang,Anjiang; Ding,Lisheng; Lei,Xinxiang; Zhang,Lixue
  参考文献:Journal Of Chemical Research 日期:2007 卷标:(12) 页码:720-721]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Ethanol; 0 °C; 3 H,Reflux; Reflux -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:A Pair Of Interconverting Cages Formed From Achiral Precursors Spontaneously Resolve Into Homochiral Conformers
  作者:Zuo,Yong; Liu,Xiaoning; Fu,Enguang; Zhang,Shaodong
  参考文献:Angewandte Chemie 日期:2023 卷标:62(14)]
  
  3132-99-8 = 96761-85-2
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Ethanol
  标题:Rational Utilization Of Intramolecular And Intermolecular Hydrogen Bonds To Achieve Desirable Electron Transporting Materials With High Mobility And High Triplet Energy
  作者:Yin,Xiaojun; Chen,Dongcheng; Peng,Qiming; Xiang,Yepeng; Xie,Guohua; Et Al
  参考文献:Journal Of Materials Chemistry C: Materials For Optical And Electronic Devices 日期:2016 卷标:4(7) 页码:1482-1489]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Toluene; Reflux; Reflux -> Rt
  标题:Light-Emitting Polymers And Their Preparation And Light-Emitting Devices Using Them
  参考文献:World Intellectual Property Organization]
  
  = 96761-85-2 [标题:Reaction Conditions
  标题:Synthesis And Crystal Inclusion Properties Of 1,3,5-Tris(Para-Substituted Aryl)Benzenes And Double-Decker Phanes
  作者:Yamato,Takehiko; Hideshima,Chieko; Nagano,Yoshiaki; Tashiro,Masashi
  参考文献:Journal Of Chemical Research 日期:1996 卷标:(1996) 页码:266-267]
  
  = 96761-85-2 [标题:Reaction Conditions
  标题:A Convenient Preparation And Inclusion Behavior Of 1,3,5-Tris-(Hydroxyphenyl)Benzenes
  作者:Yamato,Takehiko; Hideshima,Chieko; Tashiro,Masashi
  参考文献:Chemistry Express 日期:1990 卷标:5(11) 页码:845-8]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Catalysts: Trifluoroacetic Acid,Ethylenediamine Solvents: Nitromethane; 36 H,101 °C; 101 °C -> Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Triple Condensation Of Aryl Methyl Ketones Catalyzed By Amine And Trifluoroacetic Acid: Straightforward Access To 1,3,5-Triarylbenzenes Under Mild Conditions
  作者:Zhang,Shao-Liang; Xue,Zhao-Feng; Gao,Ya-Ru; Mao,Shuai; Wang,Yong-Qiang
  参考文献:Tetrahedron Letters 日期:2012 卷标:53(19) 页码:2436-2439]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Catalysts: Dodecylbenzenesulfonic Acid Solvents: Water; 15 H,130 - 135 °C
  标题:Bronsted Acid-Surfactant (Bas) Catalysed Cyclotrimerization Of Aryl Methyl Ketone
  作者:Phatangare,Kiran; Padalkar,Vikas; Murugan,Kaliyappan; Chaskar,Atul
  参考文献:Current Chemistry Letters 日期:2012 卷标:1(3) 页码:133-138]
  
  766-81-4 = 96761-85-2
  反应条件:1.1 Catalysts: Diboronic Acid,Dichloro[1,2-Di(Methoxy-Ko)Ethane]Nickel Solvents: Acetonitrile; 12 H,100 °C1.2 Solvents: Ethyl Acetate,Water
  标题:Hydrogen-Bonding Controlled Nickel-Catalyzed Regioselective Cyclotrimerization Of Terminal Alkynes
  作者:Yang,Kai; Wang,Pengfei; Sun,Ze-Ying; Guo,Minjie; Zhao,Wentao; Et Al
  参考文献:Organic Letters 日期:2021 卷标:23(10) 页码:3933-3938]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Catalysts: Silicon Tetrachloride Solvents: Ethanol
  标题:Synthesis Of Symmetrical Bromo-1,3,5-Triphenylbenzenes
  作者:Cheng,Ge; Gan,Qiu; Wang,Yuechuan; Xie,Minggui
  参考文献:Huaxue Shijie 日期:2000 卷标:41(3) 页码:130-131]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Toluene; 30 H,Reflux
  标题:Synthesis And Structural Analysis Of Some Podands With C3 Symmetry
  作者:Woiczechowski-Pop,Adrian; Dobra,Ioana L.; Roiban,Gheorghe D.; Terec,Anamaria; Grosu,Ion
  参考文献:Synthetic Communications 日期:2012 卷标:42(24) 页码:3579-3588]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Reagents: O-Phenylenediamine Catalysts: Iodine Solvents: Chlorobenzene; 12 H,120 °C
  标题:Solvent-Dependent Metal-Free Chemoselective Synthesis Of Benzimidazoles And 1,3,5-Triarylbenzenes From 2-Amino Anilines And Aryl Alkyl Ketones Catalyzed By I2
  作者:Ding,Yuxin; Ma,Renchao; Ma,Yongmin
  参考文献:Tetrahedron Letters 日期:2021 卷标:70]
  
  115665-95-7 = 96761-85-2
  反应条件:1.1 Reagents: Sodium Acetate Catalysts: Palladium Diacetate Solvents: Dimethylformamide; 24 H,Rt
  标题:Room-Temperature Synthesis Of 1,3,5-Tri(Het)Aryl Benzene From Nitroalkenes Using Pd(Oac)2: Complete Mechanistic And Theoretical Studies
  作者:Midya,Siba P.; Mondal,Subal; Islam,Abu S. M.; Rashid,Ambreen; Mondal,Sahidul; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(24) 页码:4438-4443]
  
  2142-63-4 = 96761-85-2
  反应条件:1.1 Reagents: Silicon Tetrachloride Solvents: Ethanol; Cooled; 1 H,Cooled; 24 H,30 °C
  标题:Organic Electroluminescent Devices,Method For Their Manufacture,And Their Uses In Display Units And Optical Radiation Apparatus
  参考文献:Japan]
  
  = 96761-85-2 [标题:Reaction Conditions
  标题:Preparation Of Fluorinated Aromatic Compound For Organic Electric Element And Electronic Device Thereof
  参考文献:World Intellectual Property Organization]
  
  = 96761-85-2 [标题:Reaction Conditions
  标题:Preparation Of Hydrocarbons As Charge Transfer Materials For Use In Organic Electroluminescent Devices
  参考文献:World Intellectual Property Organization]
  
  = 96761-85-2 [标题:Reaction Conditions
  标题:From Hexa-Peri-Hexabenzocoronene To "Superacenes"
  作者:Iyer,Vivekanantan S.; Wehmeier,Mike; Brand,J. Diedrich; Keegstra,Menno A.; Mullen,Klaus
  参考文献:Angewandte Chemie 日期:1997 卷标:36(15) 页码:1604-1607]
  
  = 96761-85-2 [标题:Reaction Conditions
  标题:Solid Superacids Catalyzed Organic Synthesis. 3. Nafion-H Catalyzed Condensation Of Acetophenone Derivatives. A Preparative Route To 1,3,5-Triarylbenzenes.
  作者:Yamato,Takehiko; Hideshima,Chieko; Tashiro,Masashi; Prakash,G. K. Surya; Olah,George A.
  参考文献:Catalysis Letters 日期:1990 卷标:6(3-6) 页码:341-4

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