CAS: 93-50-5; 4-Chloro-2-Methoxyaniline

• 英文名称4-Chloro-2-Methoxyaniline
• 中文名称4-氯-2-甲氧基苯胺
• IUPAC名称4-chloro-2-methoxyaniline
• 其它别名4-氯-2-甲氧基苯胺; 2-氨基-5-氯苯甲醚; 4-Chloro-O-Anisidine (Nh2=1)
• CAS编号93-50-5
• MFCD编号:MFCD06801386
• EINECS号:202-251-3
• FDA UNII编号:TV9MZ8W6NF
• 分子式:C7H8ClNO
• 分子量:157.6
• 产品CID: 1974654
• 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
• 产品信息参考;;;
• InChIKey: WOXLPNAOCCIZGP-UHFFFAOYSA-N
• InChI=1S/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点52 °C
• 沸点260°C at 760 mmHg
• 闪点108.9±21.8 °C
• 密度1.2±0.1 g/cm3
• pKa:3.90±0.10(预测)
• PSA:35.25
• LogP:1.9308
• 折射率1.573
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态深棕色固体
• 储存条件请置于阴暗处, 惰性气氛中,2-8°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)
  皮肤致敏 类别1
  水生慢性毒性 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
  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H302 |吞咽有害.
  H317 |可能引起皮肤过敏反应.
  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.
  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/Keep Cold
• 安全声明36/37
• 危险类别码43

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 4-Chloro-2-Anisidine Hydrochloride 主要起始原料 Methanol And 4-Chloronitrobenzene
• 6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Iron Solvents: Acetic Acid,Methanol; 3 H,50 °C
  标题:Discovery Of 5-(2-(Phenylamino)Pyrimidin-4-Yl)Thiazol-2(3H)-One Derivatives As Potent Mnk2 Inhibitors: Synthesis,Sar Analysis And Biological Evaluation
  作者:Diab,Sarah; Teo,Theodosia; Kumarasiri,Malika; Li,Peng; Yu,Mingfeng; Et Al
  参考文献:Chemmedchem 日期:2014 卷标:9(5) 页码:962-972]
  
  135055-92-4 = 93-50-5
  反应条件:1.1 Reagents: Potassium Hydroxide
  标题:Fischer Indolization And Its Related Compounds. Xxiv. Fischer Indolization Of Ethyl Pyruvate 2-(2-Methoxyphenyl)Phenylhydrazone
  作者:Ishii,Hisashi; Sugiura,Takao; Kogusuri,Kimiko; Watanabe,Toshiko; Murakami,Yasuoki
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1991 卷标:39(3) 页码:572-8]
  
  = 93-50-5
  反应条件:1.1 Reagents: Cupric Chloride Solvents: 1-Hexyl-3-Methylimidazolium Chloride; 3 H,40 °C
  标题:Regioselective Chlorination And Bromination Of Unprotected Anilines Under Mild Conditions Using Copper Halides In Ionic Liquids
  作者:Wang,Han; Wen,Kun; Nurahmat,Nurbiya; Shao,Yan; Zhang,He; Et Al
  参考文献:Beilstein Journal Of Organic Chemistry 日期:2012 卷标:8 页码:744-748]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Iron,Ammonium Chloride Solvents: Water; 15 Min,Reflux1.2 Reflux
  标题:Preparation Of Pyrazolones As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders
  参考文献:World Intellectual Property Organization]
  
  937072-51-0 = 93-50-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; 2 H,Rt
  标题:New Inha Inhibitors Based On Expanded Triclosan And Di-Triclosan Analogues To Develop A New Treatment For Tuberculosis
  作者:Chetty,Sarentha; Armstrong,Tom; Kharkwal,Shalu Sharma; Drewe,William C.; De Matteis,Cristina I.; Et Al
  参考文献:Pharmaceuticals 日期:2021 卷标:14(4)]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Potassium Bicarbonate,Sodium Dithionite Solvents: Methanol,Water; Rt; 2 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Acidified,60 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; Basified,Rt
  标题:Substituted Triazole Derivatives As Oxytocin Antagonists And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  1092349-89-7 = 93-50-5
  反应条件:1.1 Reagents: Ammonium Carbamate Catalysts: Acridinium,3,6-Bis(1,1-Dimethylethyl)-9-(2,6-Dimethylphenyl)-10-[4-(Trifluorome... Solvents: 2,2,2-Trifluoroethanol,1,2-Dichloroethane; 18 H,45 - 50 °C
  标题:Nucleophilic Aromatic Substitution Of Unactivated Fluoroarenes Enabled By Organic Photoredox Catalysis
  作者:Pistritto,Vincent A.; Schutzbach-Horton,Megan E.; Nicewicz,David A.
  参考文献:Journal Of The American Chemical Society 日期:2020 卷标:142(40) 页码:17187-17194]
  
  116278-63-8 = 93-50-5
  反应条件:1.1 Solvents: Methanol
  标题:Mechanism Of The Reaction Of Carbon And Nitrogen Nucleophiles With The Model Carcinogens O-Pivaloyl-N-Arylhydroxylamines: Competing Sn2 Substitution And Sn1 Solvolysis
  作者:Helmick,John S.; Martin,Kristy A.; Heinrich,Julie L.; Novak,Michael
  参考文献:Journal Of The American Chemical Society 日期:1991 卷标:113(9) 页码:3459-66]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Solvents: Isopropanol; Rt -> 50 °C
  标题:Process For Preparation Of 4-Halo-2-Alkoxy-5-Nitroaniline
  参考文献:India]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium; 0.1 Mpa -> 1 Mpa,Rt -> 120 °C; 1 Mpa,120 °C
  标题:Process For Preparation Of Halogenated Aromatic Amine Compounds
  参考文献:China]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Solvents: Methanol; 4 H,Rt
  标题:Preparation Of Dibenzo[b,E][1,4]Diazepin-11-Ones As Kinase Inhibitors For Treatment Of Cancer
  参考文献:United States]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Ammonium Formate Catalysts: Palladium Solvents: Methanol
  标题:3-Arylamino-2H-1,2,4-Benzothiadiazin-5-Ol 1,1-Dioxides As Novel And Selective Cxcr2 Antagonists
  作者:Wang,Yonghui; Busch-Petersen,Jakob; Wang,Feng; Ma,Lanping; Fu,Wei; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2007 卷标:17(14) 页码:3864-3867]
  
  = 93-50-5
  反应条件:1.1 Reagents: Cupric Chloride,1-Hexyl-3-Methylimidazolium Chloride; 4 H,40 °C
  标题:Preparation Method Of Mono-Substituted P-Chloroaniline
  参考文献:China]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Iron,Ammonium Chloride Solvents: Water; 15 Min,Reflux1.2 1.5 H,Reflux; Reflux -> Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized
  标题:New Compound Having Fgfr Inhibitory Activity And Preparation And Application Thereof
  参考文献:World Intellectual Property Organization]
  
  = 93-50-5
  反应条件:1.1 Reagents: Lithium Chloride Catalysts: Cupric Chloride Solvents: Ethanol; 7 H,Reflux
  标题:Copper-Mediated Monochlorination Of Anilines And Nitrogen-Containing Heterocycles
  作者:Yang,Xue-Yan; Zhao,Hong-Yi; Mao,Shuai; Zhang,San-Qi
  参考文献:Synthetic Communications 日期:2018 卷标:48(20) 页码:2708-2714]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Solvents: Methanol; 3 D,Rt
  标题:Preparation Of Pyrrolopyrazoles As N-Type Calcium Channel Blockers For Treating Pain
  参考文献:World Intellectual Property Organization]
  
  14874-70-5 + 2896228-00-3 = 93-50-5
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,Ammonia Catalysts: 2,9-Dichloro-1,10-Phenanthroline,Tetrakis(Acetonitrile)Copper(1+) Hexafluorophosphate,Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[2-(2-Pyri... Solvents: Methanol; 12 H,25 °C1.2 Reagents: Sodium Chloride Solvents: Water
  标题:Photoinduced Arene C-H Amination With Ammonia: A Practical And Regioselective Strategy For Primary Amines
  作者:Tan,Xiaobin; Xiong,Wenfang; Zhu,Baiyao; Liu,Hongjian; Wu,Wanqing; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2023 卷标:365(13) 页码:2165-2170]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Tetrahydrofuran; Overnight,Rt
  标题:Preparation Of Pyridinyloxybenzylureas As Raf Kinase Inhibitors.
  参考文献:World Intellectual Property Organization]
  
  6627-53-8 = 93-50-5
  反应条件:1.1 Reagents: Stannous Chloride Solvents: Methanol; 18 H,Reflux; Reflux -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Preparation Of Triazole-3-Carboxamide Derivatives As Lipoxygenase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  = 93-50-5
  反应条件:1.1 Reagents: Triphenylphosphine Catalysts: Methanesulfonic Acid,Tris[2-(2-Pyridinyl-Kn)Phenyl-Kc]Iridium Solvents: Acetonitrile,Water; 24 H,55 °C
  标题:Preparation Of Methoxyaniline Compound
  参考文献:China

海关参考信息

• 2903919090-氯苯
  2905110000-甲醇
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
• 💡 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

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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