CAS: 84459-32-5; 2-Bromo-5-Nitrobenzenecarbaldehyde

• 英文名称2-Bromo-5-Nitrobenzenecarbaldehyde
• 中文名称2-溴-5-硝基苯甲醛
• IUPAC名称2-bromo-5-nitrobenzaldehyde
• 其它别名2-Bromo-5-Nitrobenzaldehyde; 2-Bromo-5-Nitrobenzenecarbaldehyde; 2-Bromo-5-Nitro-Benzaldehyde; Benzaldehyde, 2-Bromo-5-Nitro-; 2-Bromo-5-Nitrobenz-Aldehyde; 2--Bromo-5-Nitrobenzaldehyde; Ljasznnbvotaan-Uhfffa
• CAS编号84459-32-5
• MFCD编号:MFCD00462865
• EINECS号:807-296-8
• 分子式:C7H4BrNO3
• 分子量:230.02
• 产品CID: 1832878
• 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: LJASZNNBVOTAAN-UHFFFAOYSA-N
• InChI=1S/C7H4BrNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点103-104 °C
• 沸点307.2±27.0 °C at 760 mmHg
• 闪点139.6±23.7 °C
• 密度1.8±0.1 g/cm3
• PSA:60.21
• LogP:2.1698
• 折射率1.653
• 蒸汽压0.0±0.7 mmHg at 25°C
• 外观形态白色至类白色固体
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C

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(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2A
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述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.
• 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IRRITANT

欧盟法规

上下游产品

合成工艺路线路线简述

• 332883-48-4 = 84459-32-5
  反应条件:1.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; Rt; 24 H,Rt
  标题:Axially Chiral Binaphthyl Surrogates With An Inner N-H-N Hydrogen Bond
  作者:Kawabata,Takeo; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(1) 页码:54-55]
  
  332883-48-4 = 84459-32-5
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 0 °C; 0 °C -> Rt; 3 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Enantioselective,Catalytic Vicinal Difluorination Of Alkenes
  作者:Scheidt,Felix; Et Al
  参考文献:Angewandte Chemie 日期:2018 卷标:57(50) 页码:16431-16435]
  
  943-14-6 = 84459-32-5
  反应条件:1.1 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: Tetrahydrofuran; 0 °C; 3 H,0 °C; 12 H,0 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water1.3 Reagents: Dess-Martin Periodinane Solvents: Water; 1 H,Rt
  标题:Hydrogen-Bonding Catalysis And Inhibition By Simple Solvents In The Stereoselective Kinetic Epoxide-Opening Spirocyclization Of Glycal Epoxides To Form Spiroketals
  作者:Wurst,Jacqueline M.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2011 卷标:133(20) 页码:7916-7925]
  
  6630-33-7 = 84459-32-5
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid; 0 °C; 12 H,Rt1.2 Solvents: Water; 0 °C
  标题:Gold-Catalyzed Cyclization Of 2-Alkynylaldehyde Cyclic Acetals Via Hydride Shift For The Synthesis Of Indenone Derivatives
  作者:Yamada,Tsuyoshi; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(5) 页码:1883-1888]
  
  373622-95-8 = 84459-32-5
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane,Tetrahydrofuran; 1 H,-78 °C1.2 Reagents: Ammonium Chloride Solvents: Water; -78 °C
  标题:Discovery Of A Highly Potent,Selective,And Orally Bioavailable Macrocyclic Inhibitor Of Blood Coagulation Factor Viia-Tissue Factor Complex
  作者:Zhang,Xiaojun; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2016 卷标:59(15) 页码:7125-7137]
  
  6638-79-5 + 943-14-6 = 84459-32-5
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 20 Min,0 °C; 4 H,Rt1.2 Reagents: Triethylamine Solvents: Tetrahydrofuran; 10 Min,0 °C; 1 H,0 °C; Overnight,Rt2.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane,Tetrahydrofuran; 1 H,-78 °C2.2 Reagents: Ammonium Chloride Solvents: Water; -78 °C
  标题:Discovery Of A Highly Potent,Selective,And Orally Bioavailable Macrocyclic Inhibitor Of Blood Coagulation Factor Viia-Tissue Factor Complex
  作者:Zhang,Xiaojun; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2016 卷标:59(15) 页码:7125-7137]
  
  6942-36-5 = 84459-32-5
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Tetrahydrofuran,Hexane; -78 °C; 30 Min,-78 °C; -78 °C -> 0 °C; 30 Min,0 °C; 0 °C -> -78 °C1.2 Reagents: Methanol; -78 °C1.3 Reagents: Potassium Sodium Tartrate Solvents: Ethyl Acetate,Water; 2 H,Rt2.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; Rt; 24 H,Rt
  标题:Axially Chiral Binaphthyl Surrogates With An Inner N-H-N Hydrogen Bond
  作者:Kawabata,Takeo; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(1) 页码:54-55]
  
  99-61-6 + 593-56-6 = 84459-32-5
  反应条件:1.1 Reagents: Pyridine Solvents: Dichloromethane; 1 H,Rt2.1 Reagents: N-Bromosuccinimide Catalysts: Silver Trifluoroacetate,Palladium Diacetate Solvents: 1,2-Dichloroethane; 24 H,120 °C3.1 Reagents: Formaldehyde,P-Toluenesulfonic Acid Solvents: Tetrahydrofuran,Water; 15 Min,100 °C
  标题:Selective Ortho-Bromination Of Substituted Benzaldoximes Using Pd-Catalyzed C-H Activation: Application To The Synthesis Of Substituted 2-Bromobenzaldehydes
  作者:Dubost,Emmanuelle; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2011 卷标:76(15) 页码:6414-6420]
  
  943-14-6 = 84459-32-5
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Methanol; 0 °C; 30 Min,0 °C; 0 °C -> Rt; 1 H,Rt; Rt -> Reflux; 3 H,Reflux; Reflux -> Rt2.1 Reagents: Diisobutylaluminum Hydride Solvents: Tetrahydrofuran,Hexane; -78 °C; 30 Min,-78 °C; -78 °C -> 0 °C; 30 Min,0 °C; 0 °C -> -78 °C2.2 Reagents: Methanol; -78 °C2.3 Reagents: Potassium Sodium Tartrate Solvents: Ethyl Acetate,Water; 2 H,Rt3.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; Rt; 24 H,Rt
  标题:Axially Chiral Binaphthyl Surrogates With An Inner N-H-N Hydrogen Bond
  作者:Kawabata,Takeo; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(1) 页码:54-55]
  
  332883-48-4 = 84459-32-5
  反应条件:1.1 Reagents: Tripotassium Phosphate Catalysts: 1,10-Phenanthroline,Cuprous Iodide Solvents: Toluene; 7 - 48 H,80 °C; 80 °C -> Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Simple,Copper(I)-Catalyzed Oxidation Of Benzylic/allylic Alcohols To Carbonyl Compounds: Synthesis Of Functionalized Cinnamates In One Pot
  作者:Reddy,Alavala Gopi Krishna; Et Al
  参考文献:Synthetic Communications 日期:2014 卷标:44(14) 页码:2076-2087]
  
  943-14-6 = 84459-32-5
  反应条件:1.1 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: Tetrahydrofuran; 0 °C; 0 °C; 2 H,0 °C; 22 H,Rt1.2 Reagents: Dess-Martin Periodinane Solvents: Dichloromethane; 0 °C; 0 °C; 0 °C -> Rt; 3 H,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Enantioselective,Catalytic Vicinal Difluorination Of Alkenes
  作者:Scheidt,Felix; Et Al
  参考文献:Angewandte Chemie 日期:2018 卷标:57(50) 页码:16431-16435]
  
  943-14-6 = 84459-32-5
  反应条件:1.1 Reagents: Borane1.2 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane
  标题:Palladium-Catalyzed Carbonylative Cyclization Of Baylis-Hillman Adducts. An Efficient Approach For The Stereoselective Synthesis Of 3-Alkenyl Phthalides
  作者:Coelho,Fernando; Et Al
  参考文献:Tetrahedron 日期:2006 卷标:62(18) 页码:4563-4572]
  
  = 84459-32-5
  反应条件:1.1 Reagents: Formaldehyde,P-Toluenesulfonic Acid Solvents: Tetrahydrofuran,Water; 15 Min,100 °C
  标题:Selective Ortho-Bromination Of Substituted Benzaldoximes Using Pd-Catalyzed C-H Activation: Application To The Synthesis Of Substituted 2-Bromobenzaldehydes
  作者:Dubost,Emmanuelle; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2011 卷标:76(15) 页码:6414-6420]
  
  139194-79-9 = 84459-32-5
  反应条件:1.1 Reagents: Cesium Carbonate,Oxygen Catalysts: Zinc Oxide (Zno),Copper Oxide (Cuo),Gold Solvents: Water; 120 Min,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Novel Metal Oxide Nanocomposite Of Au/cuo-Zno For Recyclable Catalytic Aerobic Oxidation Of Alcohols In Water
  作者:Albadi,Jalal; Et Al
  参考文献:Catalysis Communications 日期:2014 卷标:49 页码:1-5]
  
  99-61-6 = 84459-32-5
  反应条件:1.1 Reagents: N-Bromosuccinimide Catalysts: 2-Trifluoromethyl-4-Chloroaniline,Palladium Diacetate Solvents: Trifluoroacetic Acid,1,2-Dichloroethane; 24 H,60 °C
  标题:Palladium-Catalyzed Ortho-C(Sp2)-H Bromination Of Benzaldehydes Via A Monodentate Transient Directing Group Strategy
  作者:Yong,Qiyun; Et Al
  参考文献:Tetrahedron Letters 日期:2019 卷标:60(46)]
  
  = 84459-32-5
  反应条件:1.1 Reagents: N-Bromosuccinimide Catalysts: Silver Trifluoroacetate,Palladium Diacetate Solvents: 1,2-Dichloroethane; 24 H,120 °C2.1 Reagents: Formaldehyde,P-Toluenesulfonic Acid Solvents: Tetrahydrofuran,Water; 15 Min,100 °C
  标题:Selective Ortho-Bromination Of Substituted Benzaldoximes Using Pd-Catalyzed C-H Activation: Application To The Synthesis Of Substituted 2-Bromobenzaldehydes
  作者:Dubost,Emmanuelle; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2011 卷标:76(15) 页码:6414-6420]
  
  80887-01-0 + 6638-79-5 = 84459-32-5
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; 10 Min,0 °C; 1 H,0 °C; Overnight,Rt2.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane,Tetrahydrofuran; 1 H,-78 °C2.2 Reagents: Ammonium Chloride Solvents: Water; -78 °C
  标题:Discovery Of A Highly Potent,Selective,And Orally Bioavailable Macrocyclic Inhibitor Of Blood Coagulation Factor Viia-Tissue Factor Complex
  作者:Zhang,Xiaojun; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2016 卷标:59(15) 页码:7125-7137

海关参考信息

• 2912110000-甲醛
  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

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