CAS: 823-57-4; 2-Bromo-5-Chloroaniline

• 英文名称2-Bromo-5-Chloroaniline
• 中文名称2-溴-5-氯苯胺
• IUPAC名称2-bromo-5-chloroaniline
• 其它别名2-溴-5-氯苯胺(Cas号:823-57-4); 2溴5氯苯胺; Benzenamine, 2-Bromo-5-Chloro-; 2-Bromo-5-Chloroaniline
• CAS编号823-57-4
• MFCD编号:MFCD00672942
• EINECS号:617-321-2
• 分子式:C6H5BrClN
• 分子量:206.47
• 产品CID: 1814410
• 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: NLEZSQHAFMZAGU-UHFFFAOYSA-N
• InChI=1S/C6H5BrClN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点38°C
• 沸点128°C at 760 mmHg
• 闪点114.5±21.8 °C
• 密度1.7±0.1 g/cm3
• pKa:1.48±0.10(预测)
• PSA:26.02
• LogP:2.6847
• 折射率1.638
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Soluble In Methanol
• 外观形态白色至棕色粉末至块状物
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C
• 产品应用该化合物用作合成药品和精细化学品的中间体.

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)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 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.
  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
• 危险品标志Xi
• 风险等级Irritant
• 安全声明26-36/37/39
• 危险类别码20/21/22-36/37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 41513-04-6 = 823-57-4
  反应条件:1.1 Reagents: Cobalt Sulfate (Coso4) Heptahydrate,Sodium Borohydride Solvents: Ethanol,Water; 3 Min,21 °C
  标题:A Co2B Mediated Nabh4 Reduction Protocol Applicable To A Selection Of Functional Groups In Organic Synthesis
  作者:Lundevall,Frida Johanne; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2018 卷标:2018(26) 页码:3416-3425]
  
  6303-60-2 = 823-57-4
  反应条件:1.1 Catalysts: 8-Hydroxyquinoline,Platinum Solvents: Ethanol; 30 Min,80 °C1.2 Reagents: Hydrazine Hydrate (1:1); 60 Min,80 °C
  标题:Highly Active And Chemoselective Reduction Of Halogenated Nitroarenes Catalyzed By Ordered Mesoporous Carbon Supported Platinum Nanoparticles
  作者:Sheng,Yao; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2019 卷标:7(9) 页码:8908-8916]
  
  = 823-57-4
  反应条件:1.1 Reagents: Copper,Sodium Bromide,Copper Sulfate,Hydrogen Bromide Solvents: Water; 3 H,Reflux1.2 Reagents: Hydrogen Bromide Solvents: Water; Reflux1.3 Reagents: Sodium Nitrite Solvents: Water; Reflux; Overnight,Reflux -> Rt2.1 Reagents: Iron,Hydrochloric Acid Solvents: Methanol,Water; Rt; Rt -> Reflux; Overnight,Reflux2.2 Reagents: Sodium Hydroxide Solvents: Water; Basified
  标题:Synthesis Of Disubstituted Dibenzothiepins And Dibenzoxepins For In Vitro And In Vivo Ddt-Dehydrochlorinase Studies
  作者:De Martino,Ronald N.
  参考文献:1970]
  
  = 823-57-4 + 21402-26-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Dimethyl Sulfoxide; Rt
  标题:Electrophilic Bromination Of Meta-Substituted Anilines With N-Bromosuccinimide: Regioselectivity And Solvent Effect
  作者:Bartoli,Sandra; Et Al
  参考文献:Synthesis 日期:2009 卷标:(8) 页码:1305-1308]
  
  = 823-57-4 + 21402-26-6 + 96558-73-5
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: 1,2-Dichloroethane; Rt
  标题:Electrophilic Bromination Of Meta-Substituted Anilines With N-Bromosuccinimide: Regioselectivity And Solvent Effect
  作者:Bartoli,Sandra; Cipollone,Amalia; Squarcia,Antonella; Madami,Andrea; Fattori,Daniela
  参考文献:Synthesis 日期:2009 卷标:(8) 页码:1305-1308]
  
  41513-04-6 = 823-57-4
  反应条件:1.1 Catalysts: Cobalt (Supported On Silica) Solvents: Ethanol; 100 Min,70 °C1.2 Reagents: Hydrazine Hydrate (1:1)
  标题:In Situ Synthesized Silica-Supported Co@n-Doped Carbon As Highly Efficient And Reusable Catalysts For Selective Reduction Of Halogenated Nitroaromatics
  作者:Sheng,Yao; Et Al
  参考文献:Chemcatchem 日期:2020 卷标:12(18) 页码:4632-4641]
  
  = 823-57-4
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Dimethylformamide; Rt -> 0 °C; 30 Min,0 °C; 18 H,Rt
  标题:Selective Thiocyanation And Aromatic Amination To Achieve Organized Annulation Of Enaminone With Thiocyanate
  作者:Zhang,Jun; Et Al
  参考文献:Organic Letters 日期:2021 卷标:23(21) 页码:8396-8401

海关参考信息

• 2903919090-氯苯
• 💡 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。
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