CAS: 823-54-1; 3-Bromo-4-Chloroaniline

该化合物是含有分子式C6H5BrClN的卤化活性衍生物.该化合物在有机合成中,特别是在生产药品,农用化学品和特殊染料方面,是一个多用途中间体.其独特的溴和氯替代成分可增强反应性,使交叉反应和核生殖替代中选择性地发挥作用.复合物在标准条件下具有稳定性,便于处理和储存.其高纯度和明确结构使其适合在研究和工业过程中进行精确应用. 3-Bromo-4-Clomaniline因其在构建复杂的分子框架,促进医药和材料化学进步方面的作用而受到重视.

英文名称3-Bromo-4-Chloroaniline
中文名称3-溴-4-氯苯胺
IUPAC名称3-bromo-4-chloroaniline
其它别名Aniline,3-bromo-4-chloro- (7CI,8CI); 3-Bromo-4-chloroaniline; 3-Bromo-4-chlorophenylamine
CAS编号823-54-1
MFCD编号:MFCD00173905
EINECS号:677-625-6
分子式:C6H5BrClN
分子量:206.47
产品CID: 1814380
产品分类化学试剂 → 有机试剂

相似结构搜索
InChIKey: FVZODFVCIDBDGS-UHFFFAOYSA-N
InChI=1S/C6H5BrClN/c7-5-3-4(9)1-2-6(5)8/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

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS08;
注释: Exclamation mark & Health hazard
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-重复接触类别2
皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
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.
H373 |长期或反复接触可能损害器官.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
防范说明P260-P280h-P304+P340-P311a-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
危险等级6.1
UN编号2811
危险品标志Xi
包装等级Ⅲ
安全声明36/37
危险类别码20/21/22-33

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 3-Bromo-4-Chloroaniline 主要起始原料 3-Bromoaniline
16588-26-4 = 823-54-1
反应条件:1.1 Reagents: Potassium Tert-Butoxide,Bis(Pinacolato)Diborane Solvents: Isopropanol; 2 H,110 °C
标题:Metal-Free Reduction Of Aromatic Nitro Compounds To Aromatic Amines With B2Pin2 In Isopropanol
作者:Lu,Hongtao; Et Al
参考文献:Organic Letters 日期:2016 卷标:18(11) 页码:2774-2776]

= 823-54-1
反应条件:1.1 Reagents: Lithium Chloride Catalysts: Cupric Chloride Solvents: Ethanol; 16 H,Reflux
标题:Copper-Mediated Monochlorination Of Anilines And Nitrogen-Containing Heterocycles
作者:Yang,Xue-Yan; Et Al
参考文献:Synthetic Communications 日期:2018 卷标:48(20) 页码:2708-2714]

16588-26-4 = 823-54-1
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]

22459-83-2 = 823-54-1 [标题:Reaction Conditions
标题:Specific Deuterium Labeling Of 1,4-Benzodiazepines
作者:Liebman,A. A.; Et Al
参考文献:Analytical Chemistry Symposia Series 日期:1982 卷标:11 页码:735-41]

= 823-54-1
反应条件:1.1 Reagents: Sulfuric Acid; 45 Min,Rt1.2 Reagents: N-Bromosuccinimide; 60 °C; 2 H,60 °C
标题:A Novel Pan-Selective Bromodomain Inhibitor For Epigenetic Drug Design
作者:Warstat,Robin; Et Al
参考文献:European Journal Of Medicinal Chemistry 日期:2023 卷标:249]

= 823-54-1
反应条件:1.1 Reagents: Bromine2.1 Reagents: Hydrogen Catalysts: Palladium,Carbon Solvents: Ethyl Acetate
标题:Acid- And Base-Dependent Hydrolysis Of N-(Sulfonatooxy)-3-Bromoacetanilide: Involvement Of N-(3-Bromophenyl)Hydroxylamine O-Sulfonate
作者:Novak,Michael; Et Al
参考文献:Journal Of Organic Chemistry 日期:1987 卷标:52(10) 页码:2002-10]

621-38-5 = 823-54-1
反应条件:1.1 Reagents: Chlorine2.1 -
标题:Specific Deuterium Labeling Of 1,4-Benzodiazepines
作者:Liebman,A. A.; Et Al
参考文献:Analytical Chemistry Symposia Series 日期:1982 卷标:11 页码:735-41]

107986-35-6 = 823-54-1 + 28165-50-6 + 16750-67-7 + 116278-71-8 + 116278-72-9 + 40925-68-6
反应条件:1.1 Solvents: Acetonitrile,Water
标题:Hydrolysis And Iron(2+)-Induced Reduction Of N-Aryl-O-Pivaloylhydroxylamines: Aqueous Solution Chemistry Of Model Carcinogens
作者:Novak,Michael; Et Al
参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(20) 页码:4762-9

N-(3-Bromo-4-Chlorophenyl)Acetamide 反应生成 3-溴-4-氯苯胺
参考文献:Crowther Et Al.,Journal Of The Chemical Society,1951,P. 1774,1778
标题:Crowther Et Al.,Journal Of The Chemical Society,1951,P. 1774,1778

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。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-6022976-A
优先权日:1996-02-02
标题:Process for the production of 5-hydroxyoxazolidinones
发明人：MITCHELL GLYNN; COX JOHN MICHAEL; VOHRA SHAHEEN KHATOON
权利人:ZENECA LTD
摘要:A process for the production of hydroxy-substituted oxazolidinones, particularly 5-hydroxyoxazolidinones, which are useful as intermediates in the synthesis of herbicidally active compounds, comprising treating a hydroxythiazolidinone with an oxidizing agent.

专利号:US-10343998-B2
优先权日:2017-03-27
标题:Synthetic path to pharmaceutically acceptable Vismodegib
发明人：FRECH CHRISTIAN MANFRED; GRIECO PASQUALE GABRIELE; AEBERSOLD CHRISTINE; MÃœLLER PATRICK; INGENHOFF JAN-ERIK; OBERHOLZER MIRIAM; RSTAKYAN VIKTORYA; AESCHBACHER ROMAN GERBER
权利人:AZAD PHARMACEUTICAL INGREDIENTS AG
摘要:The present invention relates to a new route of synthesis to obtain pharmaceutically acceptable Vismodegib. In addition, besides the synthesis also suitable pharmaceutical compositions and the use of the compound for the treatment of basal-cell carcinomas are disclosed.

专利号:US-4411912-A
优先权日:1978-02-16
标题 :Insecticidal isovaleric acid esters
发明人：HENRICK CLIVE A; GARCIA BARBARA A
权利人:ZOECON CORP
摘要:Esters and thiolesters of amino acids, intermediates therefor, synthesis thereof, and the use of said esters and thiolesters and compositions for the control of pests.

专利号:US-8178559-B2
优先权日:2004-12-30
标题:Organic compounds
发明人：BREITENSTEIN WERNER; EHARA TAKERU; EHRHARDT CLAUS; GROSCHE PHILIPP; HITOMI YUKO; IWAKI YUKI; KANAZAWA TAKANORI; KONISHI KAZUHIDE; MAIBAUM JUERGEN KLAUS; MASUYA KEIICHI; IWASAKI ATSUKO; OSTERMANN NILS; SUZUKI MASAKI; TOYAO ATSUSHI; YOKOKAWA FUMIAKI
权利人:BREITENSTEIN WERNER; EHARA TAKERU; EHRHARDT CLAUS; GROSCHE PHILIPP; HITOMI YUKO; IWAKI YUKI; KANAZAWA TAKANORI; KONISHI KAZUHIDE; MAIBAUM JUERGEN KLAUS; MASUYA KEIICHI; IWASAKI ATSUKO; OSTERMANN NILS; SUZUKI MASAKI; TOYAO ATSUSHI; YOKOKAWA FUMIAKI; NOVARTIS AG
摘要:3,4-substituted piperidine compounds, these compounds for use in the diagnostic and therapeutic treatment of a warm-blooded animal, especially for the treatment of a disease (=disorder) that depends on activity of renin; the use of a compound of that class for the preparation of a pharmaceutical formulation for the treatment of a disease that depends on activity of renin; the use of a compound of that class in the treatment of a disease that depends on activity of renin; pharmaceutical formulations comprising a 3,4-substituted piperidine compound, and/or a method of treatment comprising administering a 3,4substituted piperidine compound, a method for the manufacture of a 3,4-substituted piperidine compound, and novel intermediates and partial steps for their synthesis are disclosed. The 3,4-disubstituted piperidine compounds have the formula (I), wherein the symbols have the meanings defined in the specification.