CAS: 844-51-9; [1,1:4,1-Terphenyl]-2,5-Dione

• 英文名称[1,1:4,1-Terphenyl]-2,5-Dione
• 中文名称2,5-联苯对苯醌
• IUPAC名称2,5-diphenylcyclohexa-2,5-diene-1,4-dione
• 其它别名2,5 -二苯基-1,4-醌; P-Benzoquinone, 2,5-Diphenyl- (8Ci)
• CAS编号844-51-9
• MFCD编号:MFCD00001600
• EINECS号:212-680-8
• FDA UNII编号:19F7OO1LXR
• 分子式:C18H12O2
• 分子量:260.29
• 产品CID: 1832812
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: QYXHDJJYVDLECA-UHFFFAOYSA-N
• InChI=1S/C18H12O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点215-217 °C
• 沸点457.9±45.0 °C at 760 mmHg
• 闪点170.4±25.7 °C
• 密度1.2±0.1 g/cm3
• PSA:34.14
• LogP:3.3054
• 折射率1.642
• 蒸汽压0.0±1.1 mmHg at 25°C
• 溶解性Soluble In Hot Toluene (Almost Transparency).
• 敏感性常温常压下稳定，避免氧化剂接触
• 外观形态淡黄色至黄色至橙色粉末至晶体
• 储存条件保持容器密封保存，储存在阴凉，干燥环境的地方
• 产品应用该化合物用于中间药剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS08;
  注释: Exclamation mark & Health hazard
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  呼吸道致敏 类别1
  皮肤致敏 类别1
  急性毒性 类别4(经口)
  水生急性毒性 类别1
• 警示词Danger(危险)
• 危险描述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.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H317 |可能引起皮肤过敏反应.
  H302 |吞咽有害.
  H400 |对水生生物毒性极大.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险等级IRRITANT
• 危险品标志Xi
• 安全声明26-37
• 危险类别码36/37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 100151-17-5 = 844-51-9
  反应条件:1.1 Reagents: Ceric Ammonium Nitrate Solvents: Acetonitrile,Water; 60 °C
  标题:Chemical Reactions With Upright Monolayers Of Cruciform π-Systems
  作者:Klare,Jennifer E.; Et Al
  参考文献:Langmuir 日期:2004 卷标:20(23) 页码:10068-10072]
  
  100151-17-5 = 844-51-9
  反应条件:1.1 Reagents: Diammonium Cerium Hexanitrate Solvents: Acetonitrile,Water; Rt; 15 Min,60 °C
  标题:Planar Chiral Rhodium Complexes Of 1,4-Benzoquinones
  作者:Ankudinov,Nikita M.; Et Al
  参考文献:Chemistry - A European Journal 日期:2022 卷标:28(18)]
  
  100151-17-5 = 844-51-9
  反应条件:1.1 Reagents: Ceric Ammonium Nitrate Solvents: Acetonitrile,Water1.2 Reagents: Water
  标题:Efficient Synthesis Of Symmetrical 2,5-Disubstituted Benzoquinones Via Palladium-Catalyzed Double Negishi Coupling
  作者:Palmgren,Andreas; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(11) 页码:3764-3768]
  
  591-51-5 + 20765-04-2 = 844-51-9 [标题:Reaction Conditions
  标题:Synthesis Of Substituted Quinones. 2,5-Disubstituted 1,4-Benzoquinones
  作者:Moore,Harold W.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1980 卷标:45(25) 页码:5057-64]
  
  155725-10-3 = 844-51-9 [标题:Reaction Conditions
  标题:Studies On The Meerwein Arylation-Based Preparation Of 2,3-Diarylbenzene-1,4-Diones And Its Theoretical Interpretation
  作者:Takahashi,Ichiro; Et Al
  参考文献:Chemistry Letters 日期:1994 卷标:(3) 页码:465-8]
  
  98-80-6 + 2674-34-2 = 844-51-9
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Toluene; 3 H,90 °C2.1 Reagents: Diammonium Cerium Hexanitrate Solvents: Acetonitrile,Water; Rt; 15 Min,60 °C
  标题:Planar Chiral Rhodium Complexes Of 1,4-Benzoquinones
  作者:Ankudinov,Nikita M.; Et Al
  参考文献:Chemistry - A European Journal 日期:2022 卷标:28(18)]
  
  98-80-6 = 844-51-9 + 2887-97-0
  反应条件:1.1 Reagents: 2,6-Dichloro-1,4-Benzoquinone Catalysts: Palladium Trifluoroacetate Solvents: Acetone; 48 H,Rt
  标题:Palladium-Catalyzed Direct C-H Functionalization Of Benzoquinone
  作者:Walker,Sarah E.; Et Al
  参考文献:Angewandte Chemie 日期:2014 卷标:53(50) 页码:13876-13879]
  
  = 844-51-9 + 363-03-1 + 2887-97-0
  反应条件:1.1 Reagents: Palladium Diacetate Solvents: Acetic Acid,Benzene
  标题:Oxidative Coupling Of Quinones And Aromatic Compounds By Palladium(Ii) Acetate
  作者:Itahara,Toshio
  参考文献:Journal Of Organic Chemistry 日期:1985 卷标:50(26) 页码:5546-50]
  
  591-51-5 + 20765-04-2 = 844-51-9
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:A Simple Synthetic Route To 2,5-Disubstituted 1,4-Benzoquinones
  作者:Moore,Harold W.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1977 卷标:42(20) 页码:3320-1]
  
  = 844-51-9
  反应条件:1.1 Reagents: Aluminum Chloride
  标题:Alkylaluminums. Xix. Behavior Of 1,4-Quinones,Mono- And Polycyclic,With Triphenylaluminum And Related Compounds
  作者:Alberola,A.; Et Al
  参考文献:Anales De Quimica 日期:1980 卷标:76(3) 页码:199-206]
  
  = 844-51-9
  反应条件:1.1 Reagents: Aluminum Chloride
  标题:Alkylaluminums. Xvii. Behavior Of P-Benzoquinones With Trialkylaluminum
  作者:Alberola,A.; Et Al
  参考文献:Anales De Quimica 日期:1980 卷标:76(2) 页码:118-22]
  
  2674-34-2 = 844-51-9
  反应条件:1.1 Reagents: Tert-Butyllithium Solvents: Tetrahydrofuran,Hexane; 2 H,-78 °C -> 0 °C1.2 Reagents: Zinc Chloride Solvents: Tetrahydrofuran1.3 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran; Overnight,Reflux2.1 Reagents: Ceric Ammonium Nitrate Solvents: Acetonitrile,Water; 60 °C
  标题:Chemical Reactions With Upright Monolayers Of Cruciform π-Systems
  作者:Klare,Jennifer E.; Et Al
  参考文献:Langmuir 日期:2004 卷标:20(23) 页码:10068-10072]
  
  2674-34-2 + 591-51-5 = 844-51-9
  反应条件:1.1 Reagents: Zinc Chloride Solvents: Tetrahydrofuran1.2 Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran1.3 Reagents: Ammonium Chloride Solvents: Water2.1 Reagents: Ceric Ammonium Nitrate Solvents: Acetonitrile,Water2.2 Reagents: Water
  标题:Efficient Synthesis Of Symmetrical 2,5-Disubstituted Benzoquinones Via Palladium-Catalyzed Double Negishi Coupling
  作者:Palmgren,Andreas; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(11) 页码:3764-3768]
  
  98-80-6 + 363-03-1 = 844-51-9 + 2887-97-0
  反应条件:1.1 Reagents: Tetrafluoroboric Acid Catalysts: 1,2-Bis(Diphenylphosphino)Benzene,Palladium Trifluoroacetate Solvents: Tetrahydrofuran,Water; 24 H,Rt1.2 Reagents: Iron Chloride (Fecl3) Solvents: Dichloromethane; 1 H,Rt
  标题:Synthesis And Evaluation Of Arylquinones As Bace1 Inhibitors,β-Amyloid Peptide Aggregation Inhibitors,And Destabilizers Of Preformed β-Amyloid Fibrils
  作者:Ortega,Andrea; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2011 卷标:21(8) 页码:2183-2187]
  
  1079-21-6 = 844-51-9 + 2887-97-0
  反应条件:1.1 Reagents: Dimethyl Sulfoxide,Pivalic Acid,Silver Carbonate,Oxygen Catalysts: Palladium Diacetate Solvents: Benzene; 24 H,140 °C
  标题:Tandem Oxidation-Oxidative C-H/c-H Cross-Coupling: Synthesis Of Arylquinones From Hydroquinones
  作者:Zhang,Shuai; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2013 卷标:49(40) 页码:4558-4560]
  
  53558-55-7 = 844-51-9 + 2887-97-0 [标题:Reaction Conditions
  标题:Product Subclass 8: Alkynyl-,Aryl-,And Alkenyl-Substituted Benzo-1,4-Quinones
  作者:Balci,M.; Et Al
  参考文献:Science Of Synthesis 日期:2006 卷标:28 页码:131-156]
  
  = 844-51-9 + 2887-97-0 [标题:Reaction Conditions
  标题:Product Subclass 8: Alkynyl-,Aryl-,And Alkenyl-Substituted Benzo-1,4-Quinones
  作者:Balci,M.; Et Al
  参考文献:Science Of Synthesis 日期:2006 卷标:28 页码:131-156

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902500000-苯乙烯
  2902600000-乙苯
• 💡 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

专利信息

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