CAS: 97-51-8; 2-Hydroxy-5-Nitrobenzaldehyde

• 英文名称2-Hydroxy-5-Nitrobenzaldehyde
• 中文名称5-硝基水杨醛
• IUPAC名称2-hydroxy-5-nitrobenzaldehyde
• 其它别名2-Hydroxy-5-nitrobenzaldehyde
• CAS编号97-51-8
• MFCD编号:MFCD00007337
• EINECS号:202-587-0
• 分子式:C7H5NO4
• 分子量:167.12
• 产品CID: 2021866
• 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: IHFRMUGEILMHNU-UHFFFAOYSA-N
• InChI=1S/C7H5NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10H…
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点122.7-132.3°C
• 沸点295.67 °C at 760 mmHg
• 闪点137.3±13.6 °C
• 密度1.5±0.1 g/cm3
• pKa:5.08±0.22(预测)
• PSA:80.44
• LogP:1.1129
• 折射率1.667
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Chloroform, Water (Slightly)
• 敏感性对空气和光线敏感
• 外观形态黄色至橙色至棕色粉末或晶体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用用于医药,香料和染料等有机合成的中间体.
• 性质描述淡黄色粉末,熔点125-129°C.质量标准:外观淡黄色粉末纯度≥99熔点≥350°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别急性毒性 类别4(经口)
  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2
  特定目标器官毒性 - 单次接触 类别3
  严重眼损伤 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.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H411 |对水生生物有毒并具有长期持续影响.
  H335 |可能引起呼吸道刺激.
  H318 |造成严重眼损伤.
• 防范说明P264-P270-P280-P302+P352-P330-P362+P364-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi,Xn
• 风险等级Irritant
• 安全声明26-36-37/39
• 危险类别码36/38-36/37/38-22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 90-02-8 = 97-51-8
  反应条件:1.1 Reagents: Zinc Nitrate Solvents: Water,Polyethylene Glycol; 3 - 4 Min
  标题:Ultrasonic And Microwave Effects In Polyethylene Glycol-Bound Metal Nitrate Initiated Nitration Of Aromatic Compounds Under Acid Free Conditions
  作者:Rajanna,K. C.; Chary,V. Sudhakar; Kumar,M. Satish; Krishnaiah,G.; Srinivas,P.; Et Al
  参考文献:Green Chemistry Letters And Reviews 日期:2015 卷标:8(3-4) 页码:50-55]
  
  90-02-8 = 97-51-8
  反应条件:1.1 Reagents: Nitric Acid Solvents: Acetic Acid,Water; 6 H,Rt
  标题:Design,Synthesis,Biological Evaluation Of Substituted Benzofurans As Dna Gyrase B Inhibitors Of Mycobacterium Tuberculosis
  作者:Renuka,Janupally; Reddy,Kummetha Indrasena; Srihari,Konduri; Jeankumar,Variam Ullas; Shravan,Morla; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2014 卷标:22(17) 页码:4924-4934]
  
  25016-02-8 = 97-51-8
  反应条件:1.1 Reagents: Trimethylsilyl Iodide Solvents: Chloroform
  标题:Demethylation Of Some Aryl Methyl Ethers And Selective Demethylation Of Some Pyrones By The Use Of Iodotrimethylsilane
  作者:Younis,Y. M. H.
  参考文献:International Journal Of Chemistry (Calcutta 日期:2001 卷标:11(2) 页码:75-85]
  
  = 97-51-8
  反应条件:1.1 Reagents: Trifluoroacetic Acid; 15 H,85 °C; 85 °C -> Rt1.2 Reagents: Sodium Carbonate Solvents: Water; Ph 5,Rt
  标题:Synthesis And Bioevaluation Of 2-Phenyl-5-Methyl-2H-1,2,3-Triazole-4-Carboxylic Acid/carbohydrazide Derivatives As Potent Xanthine Oxidase Inhibitors
  作者:Shi,Ailong; Wang,Defa; Wang,He; Wu,Yue; Tian,Haiqiu; Et Al
  参考文献:Rsc Advances 日期:2016 卷标:6(115) 页码:114879-114888]
  
  39224-61-8 = 97-51-8
  反应条件:1.1 Reagents: 4-Aza-1-Azoniabicyclo[2.2.2]Octane,1-Decyl-,(T-4)-Chlorotrioxochromate(1-) (1:...; 8 Min,Rt
  标题:Oxidation Of Alcohols With 1-Decyl-4-Aza-1-Azoniabicyclo[2.2.2]Octane Chlorochromate Under Conventional And Solvent-Free Conditions
  作者:Hajipour,A. R.; Bagheri,H. R.; Ruoho,A. E.
  参考文献:Russian Journal Of Organic Chemistry 日期:2006 卷标:42(6) 页码:844-848]
  
  90-02-8 = 97-51-8
  反应条件:1.1 Reagents: Zirconium Oxynitrate Solvents: Acetone; 2 H,50 °C
  标题:Highly Efficient Nitration Of Phenolic Compounds By Zirconyl Nitrate
  作者:Selvam,J. Jon Paul; Suresh,V.; Rajesh,K.; Reddy,S. Ravinder; Venkateswarlu,Y.
  参考文献:Tetrahedron Letters 日期:2006 卷标:47(15) 页码:2507-2509]
  
  90-02-8 = 97-51-8
  反应条件:1.1 Reagents: Methanesulfonic Acid,Alumina,Magnesium Nitrate Hexahydrate; > 1 Min1.2 40 Min,Rt
  标题:Al2O3/meso3H (Ama) As A Novel Heterogeneous System For The Nitration Of Aromatic Compounds By Magnesium Nitrate Hexahydrate
  作者:Hosseini-Sarvari,Mona; Tavakolian,Mina
  参考文献:Journal Of Chemical Research 日期:2008 卷标:(12) 页码:722-724]
  
  111317-16-9 = 97-51-8
  反应条件:1.1 Reagents: Silica,Water,Silicon Tetrachloride Solvents: Hexane; 0.5 H,Reflux
  标题:Silica Chloride/wet Sio2 As A Novel Heterogeneous System For Deprotection Of Oximes,Hydrazones,And Semicarbazones
  作者:Shirini,F.; Zolfigol,M. A.; Khaleghi,M.; Mohammadpour-Baltork,I.
  参考文献:Synthetic Communications 日期:2003 卷标:33(11) 页码:1839-1844]
  
  90-02-8 = 97-51-8
  反应条件:1.1 Reagents: Acetic Acid,Nitric Acid; Rt
  标题:Highly Sensitive Fluorescence Molecular Switch For The Ratio Monitoring Of Trace Change Of Mitochondrial Membrane Potential
  作者:Wang,Caixia; Wang,Ge; Li,Xiang; Wang,Kui; Fan,Jing; Et Al
  参考文献:Analytical Chemistry (Washington 日期:2017 卷标:89(21) 页码:11514-11519]
  
  1595-15-9 = 97-51-8
  反应条件:1.1 Reagents: Phosphonium,Methyltriphenyl-,Salt With Peroxydisulfuric Acid ([(Ho)S(O)2]2O2) ... Solvents: Acetonitrile; 5 S,Reflux
  标题:Methyltriphenylphosphonium Peroxydisulfate (Mtppp): A Mild And Inexpensive Reagent For The Cleavage Of Oximes,Phenylhydrazones And 2,4-Dinitrophenylhydrazones To The Corresponding Carbonyl Compounds Under Non-Aqueous Conditions
  作者:Hajipour,A. R.; Zahmatkesh,S.; Ruoho,A. E.
  参考文献:Journal Of The Iranian Chemical Society 日期:2008]
  
  89-98-5 = 97-51-8
  反应条件:1.1 Reagents: Sulfuric Acid,Fuming Nitric Acid; 3 H,-5 °C
  标题:Synthesis Of 1',3'-Dihydro-1',3',3'-Trimethyl-6-Nitrospiro[2H-1-Benzothiopyran-2,2'-[2H]Indole]
  参考文献:China]
  
  1498-88-0 = 97-51-8
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Methanol
  标题:Fischer'S Base As A Protecting Group: Protection And Deprotection Of 2-Hydroxybenzaldehydes
  作者:Cho,Young Jin; Lee,Seung Hwan; Bae,Jong Woo; Pyun,Hyung-Jung; Yoon,Cheol Min
  参考文献:Tetrahedron Letters 日期:2000 卷标:41(20) 页码:3915-3917]
  
  = 97-51-8
  反应条件:1.1 Reagents: Sulfuric Acid Catalysts: 1-Methylimidazole; 30 Min,Rt -> 80 °C; 4 H,Rt
  标题:Method For Preparing 5-Nitrosalicylaldehyde Under Catalysis Of Heteropolyacid Acidic Ionic Liquid
  参考文献:China]
  
  39224-61-8 = 97-51-8
  反应条件:1.1 Reagents: Oxygen Catalysts: 2-Aminophenol (Reaction Products With Poysalicylaldehyde And Complexes With Manganese Acetate),Manganese Acetate Tetrahydrate (Complexes With Polysalicylaldehyde Schiff Base),Benzaldehyde,5-(Chloromethyl)-2-Hydroxy-,Homopolymer (Reaction Products With 2-Aminophenol And Complexes With Manganese Acetate) Solvents: Ethanol; 42 Min,1 Atm,Rt
  标题:Direct Preparation Of Oximes And Schiff Bases By Oxidation Of Primary Benzylic Or Allylic Alcohols In The Presence Of Primary Amines Using Mn(Iii) Complex Of Polysalicylaldehyde As An Efficient And Selective Heterogeneous Catalyst By Molecular Oxygen
  作者:Kazemnejadi,Milad; Shakeri,Alireza; Mohammadi,Mohammad; Tabefam,Marzieh
  参考文献:Journal Of The Iranian Chemical Society 日期:2017 卷标:14(9) 页码:1917-1933]
  
  39224-61-8 = 97-51-8
  反应条件:1.1 Reagents: 4-Aza-1-Azoniabicyclo[2.2.2]Octane,1-Butyl-,(T-4)-Chlorotrioxochromate(1-) Catalysts: Aluminum Chloride Solvents: Acetonitrile; 1.5 H,Reflux
  标题:Oxidation Of Alcohols With 1-Butyl-4-Aza-1-Azoniabicyclo[2.2.2]Octane Chlorochromate (Baaocc) Under Non-Aqueous Conditions
  作者:Hajipour,Abdol R.; Bagheri,Hamid R.; Ruoho,Arnold E.
  参考文献:Indian Journal Of Chemistry 日期:2005 卷标:(2005) 页码:577-580]
  
  39224-61-8 = 97-51-8
  反应条件:1.1 Reagents: 4-Aza-1-Azoniabicyclo[2.2.2]Octane,1-Butyl-,(T-4)-Chlorotrioxochromate(1-); 8 Min,Rt
  标题:Solid State Oxidation Of Alcohols Using 1-Butyl-4-Aza-1-Azoniabicyclo[2.2.2]Octane Chlorochromate
  作者:Hajipour,Abdol R.; Bagheri,Hamid R.; Ruoho,Arnold E.
  参考文献:Bulletin Of The Korean Chemical Society 日期:2004 卷标:25(8) 页码:1238-1240]
  
  90-02-8 = 97-51-8
  反应条件:1.1 Reagents: Acetic Acid,Nitric Acid
  标题:Preparation Of 5-Nitrosalicylaldehyde Ethanolamine Schiff Base
  作者:Liu,Cuiying; Guo,Xiuying
  参考文献:Huaxue Shiji 日期:1994 卷标:16(6)]
  
  39224-61-8 = 97-51-8
  反应条件:1.1 Reagents: Sodium Hypochlorite Catalysts: 2506520-37-0 (Cobalt Complexes) Solvents: Water; 40 Min,Rt
  标题:Catalytic Oxidation Of Alcohols And Alkyl Benzenes To Carbonyls Using Fe3O4@sio2@(Tempo)-Co-(Chlorophyll-Coiii) As A Bi-Functional,Self-Co-Oxidant Nanocatalyst
  作者:Mahmoudi,Boshra; Rostami,Amin; Kazemnejadi,Milad; Hamah-Ameen,Baram Ahmed
  参考文献:Green Chemistry 日期:2020 卷标:22(19) 页码:6600-6613]
  
  177496-78-5 = 97-51-8
  反应条件:1.1 Reagents: 1-Propanol Catalysts: Cupric Chloride Solvents: 1-Propanol
  标题:Method For Preparation Of Hydroxy Compounds And Catalyst For Its Preparation
  参考文献:Japan]
  
  = 97-51-8
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Ethanol; Rt -> 78 °C; 2 H,78 °C
  标题:Method For Synthesizing Mesalazine
  参考文献:China

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
  2907121100-间甲酚
  2908199090-其他酚的卤化衍生物
• 💡 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

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