CAS: 934-22-5; 6-Aminobenzimidazole

• 英文名称6-Aminobenzimidazole
• 中文名称1H-苯并[d]咪唑-6-胺
• IUPAC名称1H-benzo[d]imidazol-6-amine
• 其它别名5-氨基苯并咪唑; 5-Aminobenzimidazole
• CAS编号934-22-5
• MFCD编号:MFCD00831692
• EINECS号:213-279-0
• FDA UNII编号:7L7289019S
• 分子式:C7H7N3分子量:133.15
• 产品CID: 1973548
• 产品分类有机原料→分子砌块→芳杂环类化合物→苯并咪唑类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: WFRXSXUDWCVSPI-UHFFFAOYSA-N
• InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数*

相似化合物

物理性质

• 熔点163-168 °C
• 沸点476.1±18.0 °C at 760 mmHg
• 闪点273.2±8.4 °C
• 密度1.4±0.1 g/cm3
• pKa:14.47±0.30(预测)
• PSA:54.7
• LogP:1.1451
• 折射率1.780
• 蒸汽压0.0±1.2 mmHg at 25°C
• 溶解性Slightly Sol. In Methanol
• 外观形态淡黄色至棕色粉末至晶体
• 储存条件请置于阴暗处, 惰性气氛中,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  皮肤致敏 类别1
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H317 |可能引起皮肤过敏反应.
• 防范说明P264-P270-P280
• 危险等级IRRITANT
• 危险品标志Xi,Xn
• 安全声明26-36/37/39
• 危险类别码36/37/38-36-22
• WGK Germany3

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 5-Aminobenzimidazole 主要起始原料 5-Nitrobenzimidazole
• 94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 20 H,Rt
  标题:Preparation Of Benzimidazolylazines And Related Compounds As Selective Jak3 Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: Iron Oxide (Fe3O4),Rhodium,Silica Solvents: Water; 7 - 30 Min,110 °C
  标题:Porous Silica-Encapsulated And Magnetically Recoverable Rh Nps: A Highly Efficient,Stable And Green Catalyst For Catalytic Transfer Hydrogenation With "Slow-Release" Of Stoichiometric Hydrazine In Water
  作者:Zhou,Junjie; Li,Yunong; Sun,Hong-Bin; Tang,Zhike; Qi,Li; Et Al
  参考文献:Green Chemistry 日期:2017 卷标:19(14) 页码:3400-3407]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: Copper Alloy,Nonbase,Cu,Fe (Magnetically Immobilized In Amine-Rich Silica Spheres) Solvents: Water; 25 Min,110 °C
  标题:Ultrafine Fecu Alloy Nanoparticles Magnetically Immobilized In Amine-Rich Silica Spheres For Dehalogenation-Proof Hydrogenation Of Nitroarenes
  作者:Bao,Hongjie; Li,Yunong; Liu,Lei; Ai,Yongjian; Zhou,Junjie; Et Al
  参考文献:Chemistry - A European Journal 日期:2018 卷标:24(54) 页码:14418-14424]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: Bismuth Iron Oxide,Graphene (Oxide) Solvents: Methanol; 90 °C
  标题:Bismuth Iron Oxide Nanocomposite Supported On Graphene Oxides As The High Efficient,Stable And Reusable Catalysts For The Reduction Of Nitroarenes Under Continuous Flow Conditions
  作者:Sun,Hong-Bin; Ai,Yongjian; Li,Dong; Tang,Zhike; Shao,Zixing; Et Al
  参考文献:Chemical Engineering Journal (Amsterdam 日期:2017 卷标:314 页码:328-335]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: 1,10-Phenanthroline,Ferrous Acetate Solvents: Tetrahydrofuran,Water; 15 H,50 Bar,120 °C
  标题:Nanoscale Fe2O3-Based Catalysts For Selective Hydrogenation Of Nitroarenes To Anilines
  作者:Jagadeesh,Rajenahally V.; Surkus,Annette-Enrica; Junge,Henrik; Pohl,Marga-Martina; Radnik,Joerg; Et Al
  参考文献:Science (Washington 日期:2013 卷标:342(6162) 页码:1073-1076]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol
  标题:Reaction Of Aminobenzimidazoles With 4-Hydroxy-6-Methyl-2-Pyrone And 4-Hydroxycoumarin
  作者:El Kihel,Abdellatif; Benchidmi,Mohamed; Essassi,El Mokhtar; Bauchat,Patrick; Danion-Bougot,Renee
  参考文献:Synthetic Communications 日期:1999 卷标:29(14) 页码:2435-2445]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Acetic Acid,Iron Solvents: Methanol; Rt -> 80 °C; 4 H,80 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 7 - 8
  标题:Preparation Of Pyrazine Derivatives As Fxia Inhibitors
  参考文献:World Intellectual Property Organization]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Stannous Chloride Solvents: Ethyl Acetate; 12 H,Reflux; Reflux -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 8 - 9
  标题:Combinatorial Synthesis Of Benzimidazole-Azo-Phenol Derivatives As Antifungal Agents
  作者:Ke,Yazhen; Zhi,Xiaoyan; Yu,Xiang; Ding,Guodong; Yang,Chun; Et Al
  参考文献:Combinatorial Chemistry & High Throughput Screening 日期:2014 卷标:17(1) 页码:89-95]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Ethanol,Water; 2 - 3 H,Rt
  标题:Inhibition Of Cobalamin-Dependent Methionine Synthase By Substituted Benzo-Fused Heterocycles
  作者:Banks,Elizabeth C.; Doughty,Stephen W.; Toms,Steven M.; Wheelhouse,Richard T.; Nicolaou,Anna
  参考文献:Febs Journal 日期:2007 卷标:274(1) 页码:287-299]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Diboronic Acid Catalysts: 4,4′-Bipyridine Solvents: Dimethylformamide; 5 Min,Rt
  标题:Metal-Free,Rapid,And Highly Chemoselective Reduction Of Aromatic Nitro Compounds At Room Temperature
  作者:Jang,Mingyeong; Lim,Taeho; Park,Byoung Yong; Han,Min Su
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(2) 页码:910-919]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: Iron Oxide (Fe2O3) (Carbon Supported),Tin Oxide (Sno2) (Carbon Supported) Solvents: Methanol; 60 Min,110 °C
  标题:Immobilizing Multifunctional Fe2O3-Sno2 Nanoparticles To Carbon Nanospheres: An Extremely Active And Selective Catalyst For Hydrogen Transfer Reaction
  作者:Qi,Li; Li,Yunong; Liu,Lei; Zhou,Junjie; Ai,Yongjian; Et Al
  参考文献:Chemistryselect 日期:2017 卷标:2(27) 页码:8288-8295]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrogen Solvents: Methanol; 8 H,1 Mpa,100 °C
  标题:Chemoselective Hydrogenation Of Functionalized Nitroarenes Using Mof-Derived Co-Based Catalysts
  作者:Wang,Xi; Li,Yingwei
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2016 卷标:420 页码:56-65]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: 1,10-Phenanthroline (Reaction Product With Vulcan Xc72R And Iron(Ii) Acetate),Ferrous Acetate (Reaction Product With Vulcan Xc72R And 1,10-Phenanthroline) Solvents: Tetrahydrofuran; 10 H,100 °C
  标题:Efficient And Highly Selective Iron-Catalyzed Reduction Of Nitroarenes
  作者:Jagadeesh,Rajenahally V.; Wienhoefer,Gerrit; Westerhaus,Felix A.; Surkus,Annette-Enrica; Pohl,Marga-Martina; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2011 卷标:47(39) 页码:10972-10974]
  
  615-71-4 = 934-22-5
  反应条件:1.1 Reagents: Sodium Pyrosulfite Solvents: Ethanol,Water; 2 H,72 - 76 °C
  标题:Reevaluating The Synthesis Of 2,5-Disubstituted-1H-Benzimidazole Derivatives By Different Green Activation Techniques And Their Biological Activity As Antifungal And Antimicrobial Inhibitor
  作者:Penieres-Carrillo,Jose-Guillermo; Rios-Guerra,Hulme; Perez-Flores,Javier; Rodriguez-Molina,Braulio; Torres-Reyes,Angeles; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:2020 卷标:57(1) 页码:436-455]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: Iron(2+),(Hydroperoxy)- Solvents: Water; 60 Min,110 °C
  标题:Amorphous Flowerlike Goethite Feooh Hierarchical Supraparticles: Superior Capability For Catalytic Hydrogenation Of Nitroaromatics In Water
  作者:Ai,Yongjian; Liu,Lei; Zhang,Cheng; Qi,Li; He,Mengqi; Et Al
  参考文献:Acs Applied Materials & Interfaces 日期:2018 卷标:10(38) 页码:32180-32191]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: Bismuth Iron Oxide (Immobilized On Chitosan Noncovalently Functionalized Oxidized Carbon Nanotubes) Solvents: Methanol; 60 Min,110 °C
  标题:Noncovalently Functionalized Carbon Nanotubes Immobilized Fe-Bi Bimetallic Oxides As A Heterogeneous Nanocatalyst For Reduction Of Nitroaromatics
  作者:Ai,Yongjian; Liu,Lei; Jing,Ke; Qi,Li; Fan,Zhibo; Et Al
  参考文献:Nano-Structures & Nano-Objects 日期:2017 卷标:10 页码:116-124]
  
  4887-82-5 = 934-22-5
  反应条件:1.1 Reagents: Ammonia Solvents: Dimethyl Sulfoxide,Water; 10 H,300 - 350 Psi,150 °C
  标题:Continuous Amination Of Aryl/heteroaryl Halides Using Aqueous Ammonia In A Teflon Af-2400 Tube-In-Tube Micro-Flow Reactor
  作者:Xue,Chengwen; Li,Jiesheng; Lee,Jin Ping; Zhang,Ping; Wu,Jie
  参考文献:Reaction Chemistry & Engineering 日期:2019 卷标:4(2) 页码:346-350]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: Palladium Diacetate Solvents: Tetrahydrofuran,Water; 30 Min,Rt
  标题:Palladium-Catalyzed Silane/siloxane Reductions In The One-Pot Conversion Of Nitro Compounds Into Their Amines,Hydroxylamines,Amides,Sulfonamides,And Carbamates
  作者:Rahaim,Ronald J. Jr.; Maleczka,Robert E. Jr.
  参考文献:Synthesis 日期:2006 卷标:(19) 页码:3316-3340]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Potassium Fluoride,Poly(Methylhydrosiloxane) Catalysts: Palladium Diacetate Solvents: Tetrahydrofuran,Water; Rt; Rt; 15 - 45 S,Rt1.2 Reagents: Poly(Methylhydrosiloxane); Rt; 30 Min,Rt
  标题:Pd-Catalyzed Silicon Hydride Reductions Of Aromatic And Aliphatic Nitro Groups
  作者:Rahaim,Ronald J. Jr.; Maleczka,Robert E. Jr.
  参考文献:Organic Letters 日期:2005 卷标:7(22) 页码:5087-5090]
  
  94-52-0 = 934-22-5
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: Iron Hydroxide Oxide Solvents: Ethanol; 60 - 70 °C
  标题:Green Preparation Of Carbon-Supported Iron-Based Catalyst And Its Application In Synthesis Of Anticancer Inhibitor Intermediates
  参考文献:World Intellectual Property Organization

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