CAS: 86-00-0; 2-Nitrobiphenyl

• ⚠️危险化学品目录(2015年版) 易燃固体,类别2
• 英文名称2-Nitrobiphenyl
• 中文名称2-硝基联苯
• IUPAC名称1-nitro-2-phenylbenzene
• 其它别名Biphenyl,2-nitro- (7CI,8CI); 2-Nitro-1,1'-biphenyl; 2-Nitrobiphenyl; 2-Phenylnitrobenzene; 2'-Nitrobiphenyl; ONB; o-Nitrobiphenyl; o-Nitrodiphenyl
• CAS编号86-00-0
• MFCD编号:MFCD00007126
• EINECS号:201-646-8
• FDA UNII编号:8R1N47E4DT
• 分子式:C12H9NO2
• 分子量:199.21
• 产品CID: 1859978
• 产品分类医药中间体 → 原料药中间体

• 相似结构搜索
• InChIKey: YOJKKXRJMXIKSR-UHFFFAOYSA-N
• InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点36-38  °C(文献)
• 沸点325.0±11.0 °C at 760 mmHg
• 闪点151.2±12.1 °C
• 密度1.2±0.1 g/cm3
• PSA:45.82
• LogP:3.52
• 折射率1.605
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Insoluble
• 敏感性Aromatic nitro compounds, such as 2-NITRO-1,1'-BIPHENYL, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
• 外观形态白色至黄色至绿色粉末至块状物
• 储存条件密封保存保存。
• 产品应用用作增塑剂,防霉剂,染料中间体等.
• 性质描述熔点36-38°C,沸点325°C,ND201.613-1.615,闪点179°C,水溶性Insoluble

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别致癌性 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)
• 警示词Warning(警告)
• 危险描述H351 |怀疑致癌.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P261-P305+P351+P338
• 危险品标志Xn
• 安全声明2-7-36-45-36/37
• 危险类别码20/21/22-40-68-22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Palladium Chloride,N2,N2,N6,N6-Tetrakis[(Diphenylphosphino)Methyl]-2,6-Pyridinediamine Solvents: Dimethylacetamide; 1 H,100 °C1.2 Solvents: O-Xylene; 1 H,90 °C
  标题:N,N,N',N'-Tetra(Diphenylphosphinomethyl)Pyridine-2,6-Diamine/palladium Catalyzed Suzuki-Miyaura Coupling Of Aryl And Heteroaryl Halides
  作者:Guo,Fei-Chen; Zhou,Rong; Jiang,Zhi-Jie; Wang,Wei; Fu,Hai-Yan; Et Al
  参考文献:Catalysis Communications 日期:2015 卷标:66 页码:87-90]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Sodium Bicarbonate,Tetrabutylammonium Bromide Catalysts: Palladium Solvents: Ethanol,Water; 296 K -> 328 K; 20 H,328 K
  标题:Supported Palladium Nanoparticles Synthesized By Living Plants As A Catalyst For Suzuki-Miyaura Reactions
  作者:Parker,Helen L.; Rylott,Elizabeth L.; Hunt,Andrew J.; Dodson,Jennifer R.; Taylor,Andrew F.; Et Al
  参考文献:Plos One 日期:2014 卷标:9(1)]
  
  14874-70-5 + 2850210-87-4 = 86-00-0
  反应条件:1.1 Reagents: Hydrogen,Tripotassium Phosphate Catalysts: Bis(Tri-Tert-Butylphosphine)Palladium Solvents: Tetrahydrofuran; 24 H,1 Atm,23 °C
  标题:Tritiation Of Aryl Thianthrenium Salts With A Molecular Palladium Catalyst
  作者:Zhao,Da; Petzold,Roland; Yan,Jiyao; Muri,Dieter; Ritter,Tobias
  参考文献:Nature (London 日期:2021 卷标:600(7889) 页码:444-449]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrabutylammonium Bromide,Palladium Solvents: Ethanol,Water; 1 H,Rt
  标题:Synthesis Of Novel And Room Temperature-Operable Palladium Complexes On Graphene Oxide: An Efficient Recyclable Catalyst For Suzuki-Miyaura Coupling Reactions
  作者:Qian,Yingjie; So,Jaeil; Lee,Myeong Yeon; Hwang,Sosan; Jin,Myung-Jong; Et Al
  参考文献:Journal Of Industrial And Engineering Chemistry (Amsterdam 日期:2019 卷标:75 页码:253-261]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Picolinic Acid,Dipotassium Hexachloropalladate Solvents: Water; Ph 101.2 Catalysts: Ferrous Chloride; Ph 9.5 - 10.5,Rt; 15 H,150 °C1.3 Reagents: Potassium Carbonate Catalysts: Tetrabutylammonium Bromide Solvents: Dimethylformamide,Water; 20 Min,80 °C
  标题:Architectured Fe3Pd2(Oh)2[picolinic Acid]8(H2O)4 Hybrid Nanorods: A Remarkably Reusable And Robust Heterogeneous Catalyst For Suzuki-Miyaura And Mizoroki-Heck Cross-Coupling Reactions
  作者:Asiabi,Hamid; Yamini,Yadollah; Shamsayei,Maryam; Kazemi Miraki,Maryam; Heydari,Akbar
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2018 卷标:6(10) 页码:12613-12620]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Diacetate (Reaction Product With Diadamantyl Phosphine (Or Dihexyl Phosphine),Palladiaum Polymer With Trisiodophenylamine And Benzenediamine) Solvents: Isopropanol,Water; 10 H,100 °C
  标题:Palladium Nanoparticles In Cross-Linked Polyaniline As Highly Efficient Catalysts For Suzuki-Miyaura Reactions
  作者:Fan,Haipeng; Qi,Zhengliang; Sui,Dejun; Mao,Fei; Chen,Rizhi; Et Al
  参考文献:Chinese Journal Of Catalysis 日期:2017 卷标:38(3) 页码:589-596]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: Tetrabutylammonium Bromide,Palladium Diacetate Solvents: Toluene,Water; 3 H,110 °C
  标题:The Suzuki Reaction Catalyzed By Pd(Oac)2 In Water-Organic Two Phase System And The Synthesis Of 2-(4-Chlorophenyl) Aniline
  作者:Sun,Bin; Xiang,Peng
  参考文献:Huaxue Yanjiu Yu Yingyong 日期:2014 卷标:26(8) 页码:1318-1323]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tris[(1-Benzyl-1H-1,2,3-Triazol-4-Yl)Methyl]Amine,1639454-34-4 Solvents: Ethanol,Water; 5 H,80 °C
  标题:The Preparation And Catalytic Property Of Palladium Chloride Catalyst Supported On Organic-Inorganic Hybrid Nanorods
  作者:Wei,Kaiju; Zhang,Bo; Ni,Jia; Geng,Junjun; Zhang,Jingwei; Et Al
  参考文献:Inorganic Chemistry Communications 日期:2015 卷标:51 页码:103-105]
  
  = 86-00-0
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Palladium Solvents: Water
  标题:Carbon-Carbon Bond Formation Via Palladium-Catalyzed Reductive Coupling Of Aryl Halides In Air And Water
  作者:Venkatraman,Sripathy; Huang,Taisheng; Li,Chao-Jun
  参考文献:Advanced Synthesis & Catalysis 日期:2002 卷标:344 页码:399-405]
  
  591-50-4 = 86-00-0
  反应条件:1.1 Reagents: Tetrabutylammonium Bromide,Diisopropylethylamine Catalysts: Palladium Diacetate Solvents: P-Xylene
  标题:Preparation Of Unsymmetrical Biaryls Via Palladium-Catalyzed Coupling Reaction Of Aryl Halides
  作者:Hassan,J.; Hathroubi,C.; Gozzi,C.; Lemaire,M.
  参考文献:Tetrahedron 日期:2001 卷标:57(37) 页码:7845-7855]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Diacetate Solvents: Methanol,Water; 1.5 H,20 °C
  标题:Synthesis Of 2-Nitro- And 2,2'-Dinitrobiphenyls By Means Of The Suzuki Cross-Coupling Reaction
  作者:Gonzalez,Raquel Rodriguez; Liguori,Lucia; Carrillo,Alberto Martinez; Bjorsvik,Hans-Rene
  参考文献:Journal Of Organic Chemistry 日期:2005 卷标:70(23) 页码:9591-9594]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran,Water; 85 °C
  标题:Nai/pph3-Mediated Photochemical Reduction And Amination Of Nitroarenes
  作者:Qu,Zhonghua; Chen,Xing; Zhong,Shuai; Deng,Guo-Jun; Huang,Huawen
  参考文献:Organic Letters 日期:2021 卷标:23(14) 页码:5349-5353]
  
  98-80-6 = 86-00-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrakis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran; 12 - 24 H,85 °C
  标题:Visible-Light-Driven Cadogan Reaction
  作者:Qu,Zhonghua; Wang,Pu; Chen,Xing; Deng,Guo-Jun; Huang,Huawen
  参考文献:Chinese Chemical Letters 日期:2021 卷标:32(8) 页码:2582-2586

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