CAS: 787-69-9; 4,4'-Diacetylbiphenyl

• 英文名称4,4'-Diacetylbiphenyl
• 中文名称4,4'-二乙酰联苯
• IUPAC名称1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(ethan-1-one)
• 其它别名4',4''-Biacetophenone
• CAS编号787-69-9
• MFCD编号:MFCD00017248
• EINECS号:625-368-5
• 分子式:C16H14O2
• 分子量:238.29
• 产品CID: 1782282
• 产品分类有机原料→材料科学→MOF有机配体→羧酸MOF配体

• 相似结构搜索
• 产品信息参考;
• InChIKey: YSTSBXDVNKYPTR-UHFFFAOYSA-N
• InChI=1S/C16H14O2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数3.0

相似化合物

物理性质

• 熔点193-195°C
• 沸点340.88 °C at 760 mmHg
• 闪点144.9±17.9 °C
• 密度1.1±0.1 g/cm3
• PSA:34.14
• LogP:3.7588
• 折射率1.565
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Soluble In Chloroform
• 敏感性常温常压下稳定，避免强氧化剂接触
• 外观形态无色至浅棕褐色结晶粉末
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS09;
  注释: Environment
• 危险类别水生急性毒性 类别1
  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
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  水生慢性毒性 类别1
• 警示词Warning(警告)
• 危险描述H400 |对水生生物毒性极大.
  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.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H410 |对水生生物毒性极大并具有长期持续影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级9
• UN编号3077.0
• 危险品标志N,Xi,Xn
• 风险等级Irritant
• 包装等级Ⅲ
• 安全声明60-61-36/37/39-26-37/39-36
• 危险类别码50/53-36/37/38-20/21/22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 99-91-2 = 787-69-9
  反应条件:1.1 Reagents: Triphenylphosphine,Zinc,Nickel Dichloride Solvents: Dimethylacetamide
  标题:Cu,Ni,And Pd Mediated Homocoupling Reactions In Biaryl Syntheses: The Ullmann Reaction
  作者:Nelson,Todd D.; Crouch,R. David
  参考文献:Organic Reactions (Hoboken 日期:2004 卷标:63]
  
  = 787-69-9
  反应条件:1.1 Reagents: Sodium Bicarbonate Catalysts: 1,10-Phenanthroline,Chloro(Triphenylphosphine)Gold Solvents: Acetonitrile,Water; 24 H,Rt
  标题:Visible Light-Driven,Gold(I)-Catalyzed Preparation Of Symmetrical (Hetero)Biaryls By Homocoupling Of Arylazo Sulfones
  作者:Di Terlizzi,Lorenzo; Scaringi,Simone; Raviola,Carlotta; Pedrazzani,Riccardo; Bandini,Marco; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(7) 页码:4863-4872]
  
  13329-40-3 = 787-69-9
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Copper Solvents: Dimethylformamide; 3 H,Reflux
  标题:Synthesis And Characterization Of Copper Nanoparticles On Walnut Shell For Catalytic Reduction And C-C Coupling Reaction
  作者:Zamani,Asghar; Poursattar Marjani,Ahmad; Nikoo,Abbas; Heidarpour,Mojtaba; Dehghan,Ahmad
  参考文献:Inorganic And Nano-Metal Chemistry 日期:2018 卷标:48(3) 页码:176-181]
  
  149104-90-5 = 787-69-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 45 - 60 Min,120 - 130 °C
  标题:Organic Synthesis Via Magnetic Attraction: Benign And Sustainable Protocols Using Magnetic Nanoferrites
  作者:Nasir Baig,R. B.; Varma,Rajender S.
  参考文献:Green Chemistry 日期:2013 卷标:15(2) 页码:398-417]
  
  99-90-1 = 787-69-9
  反应条件:1.1 Reagents: Hydroquinone Solvents: Dimethylformamide; Rt -> 50 °C1.2 Reagents: Tripotassium Phosphate Catalysts: 1-Butanaminium,N,N,N-Tributyl-,(Sp-4-2)-Trichloro[sulfinylbis[methane]-S]Palla...; 3 H,50 °C -> 140 °C
  标题:Oxidative And Reductive Cross-Coupling Reactions Catalyzed By An Anionic "Ligandless" Palladium Complex
  作者:Schroeter,Felix; Lerch,Swantje; Strassner,Thomas
  参考文献:Organic Process Research & Development 日期:2018 卷标:22(12) 页码:1614-1621]
  
  99-90-1 + 149104-90-5 = 787-69-9
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Diacetate Solvents: Ethanol,Water; 5 Min,Rt
  标题:Sustainable Suzuki-Miyaura Reaction Catalyzed By Pd(Oac)2 Immobilized On Reversed-Phase Alumina
  作者:Hagiwara,Hisahiro; Ko,Keon Hyeok; Hoshi,Takashi; Suzuki,Toshio
  参考文献:Synlett 日期:2008 卷标:(4) 页码:611-613]
  
  99-91-2 = 787-69-9
  反应条件:1.1 Reagents: L-Ascorbic Acid,Sodium Hydroxide Catalysts: Gold Alloy,Base,Au 92,Pd 8.3,Resin 717 Solvents: Water; 3 H,80 °C
  标题:Efficient And Durable Au Alloyed Pd Single-Atom Catalyst For The Ullmann Reaction Of Aryl Chlorides In Water
  作者:Zhang,Leilei; Wang,Aiqin; Miller,Jeffrey T.; Liu,Xiaoyan; Yang,Xiaofeng; Et Al
  参考文献:Acs Catalysis 日期:2014 卷标:4(5) 页码:1546-1553]
  
  99-91-2 + 149104-90-5 = 787-69-9
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: 1522379-34-5 Solvents: Methanol; 60 Min,80 °C; 80 °C -> Rt1.2 Reagents: Sodium Chloride Solvents: Water; Rt
  标题:(π-Allyl)Pd Complexes Containing N-Heterocyclic Carbene And Pseudohalogen Ligands - Synthesis,Reactivity Toward Organic Isothiocyanates And Isocyanides,And Their Catalytic Activity In Suzuki-Miyaura Cross-Couplings
  作者:Kim,Hyun-Kyung; Lee,Jung-Hyun; Kim,Yong-Joo; Zheng,Zhen Nu; Lee,Soon W.
  参考文献:European Journal Of Inorganic Chemistry 日期:2013 卷标:2013(28) 页码:4958-4969]
  
  99-90-1 + 149104-90-5 = 787-69-9
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium,Bromo[(4-Carboxylato-2,6-Pyridinediyl-Kn)Bis(3-Butyl-1H-Benzimidazol-... Solvents: Water; 5 H,100 °C; 100 °C -> Rt
  标题:A Robust Hydrophilic Pyridine-Bridged Bis-Benzimidazolylidene Palladium Pincer Complex: Synthesis And Its Catalytic Application Towards Suzuki-Miyaura Couplings In Aqueous Solvents
  作者:Tu,Tao; Feng,Xike; Wang,Zhixun; Liu,Xiyu
  参考文献:Dalton Transactions 日期:2010 卷标:39(44) 页码:10598-10600

海关参考信息

• 2902600000-乙苯
  2912110000-甲醛
  2912120000-乙醛
  2912210000-苯甲醛
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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