CAS: 86-98-6; 4,7-Dichloroquinoline

• 英文名称4,7-Dichloroquinoline
• 中文名称4,7-二氯喹啉
• IUPAC名称4,7-dichloroquinoline
• 其它别名4,7-Dichloroquinoline
• CAS编号86-98-6
• MFCD编号:MFCD00006774
• EINECS号:201-714-7
• FDA UNII编号:Z61O2HEQ2J
• 分子式:C9H5Cl2N
• 分子量:198.05
• 产品CID: 1873886
• 产品分类有机原料→官能团→氯化物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: HXEWMTXDBOQQKO-UHFFFAOYSA-N
• InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H…
• 计算化学: 氢键受体数1.0氢键供体数0可旋转键数0

相似化合物

物理性质

• 熔点81-83°C
• 沸点148 °C at 760 mmHg
• 闪点158.7±7.4 °C
• 密度1.4±0.1 g/cm3
• PH:3.86 (24.9°C)
• pKa:1.99±0.27(预测)
• PSA:12.89
• LogP:3.5416
• 折射率1.661
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Chloroform: Soluble50mg/mL, Clear, Colorless To Greenish-Yellow
• 外观形态白色至浅棕色粉末
• 储存条件2-30°C
• 产品应用用作药物氯喹的中间体.
• 性质描述针状结晶.熔点84-86°C,沸点148°C,闪点164°C,水溶性insoluble

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  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
  急性毒性 类别4(经口)
  皮肤致敏 类别1B
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  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.
  H302 |吞咽有害.
• 防范说明P261-P264-P272-P273-P280-P302+P352-P362-P391-P501
• 危险等级9
• UN编号3077.0
• 危险品标志Xi
• 风险等级Irritant
• 包装等级Ⅲ
• 安全声明26-36-22
• 危险类别码36/37/38
• WGK Germany3

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 4,7-Dichloroquinoline 主要起始原料 7-Chloroquinolin-4-Ol
• 52144-11-3 = 86-98-6
  反应条件:1.1 Solvents: 1,1′-Biphenyl,Mixt. With 1,1′-Oxybis[benzene]
  标题:Some Problems In The Synthesis Of An Antimalarial Intermediate
  作者:Marina,Mary
  参考文献:Transactions Of The Illinois State Academy Of Science 日期:1956 卷标:49 页码:73-6]
  
  1077-74-3 = 86-98-6
  反应条件:1.1 Reagents: Phenylsilane Catalysts: 3-Methyl-1-Phenyl-2-Phospholene 1-Oxide Solvents: Acetonitrile; 16 H
  标题:Metal-Free Deoxygenation Of Amine N-Oxides: Synthetic And Mechanistic Studies
  作者:Lecroq,William; Et Al
  参考文献:Chemphyschem 日期:2021 卷标:22(12) 页码:1237-1242]
  
  1077-74-3 = 86-98-6
  反应条件:1.1 Reagents: 3,5-Bis(1,1-Dimethylethyl) 1,4-Dihydro-2,6-Dimethyl-3,5-Pyridinedicarboxylate Catalysts: Tris(2,2′-Bipyridyl)Dichlororuthenium(Ii) Hexahydrate Solvents: Acetonitrile; 5 Min,Rt
  标题:Highly Chemoselective Deoxygenation Of N-Heterocyclic N-Oxides Using Hantzsch Esters As Mild Reducing Agents
  作者:An,Ju Hyeon; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(3) 页码:2876-2894]
  
  = 86-98-6
  反应条件:1.1 Reagents: Perchloric Acid,Chlorine Solvents: Acetic Acid,Water
  标题:Further Studies Of Mechanisms Of Chlorinolysis Of Sulfur-Carbon Bonds. The Mechanism Of Abnormal Chlorinolysis And Desulfonylation Of Sulfonyl Chlorides. Iii
  作者:Kwart,H.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1965 卷标:(4) 页码:1188-95]
  
  = 86-98-6
  反应条件:1.1 Reagents: Chlorine Solvents: Acetic Acid,Water
  标题:Further Observations On The Mechanism Of Chlorinolysis Of Sulfur-Carbon Bonds; The Chlorinolysis Of 4-Benzylthio-7-Chloroquinoline
  作者:Kwart,Harold; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1958 卷标:80 页码:884-7]
  
  16600-22-9 = 86-98-6
  反应条件:1.1 -2.1 Reagents: Phosphorus Oxychloride
  标题:Synthesis And Antitumor Activity Of Halogen-Substituted 4-(3,3-Dimethyl-1-Triazeno)Quinolines
  作者:Lin,Ai Jeng; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1978 卷标:21(3) 页码:268-72]
  
  3412-99-5 = 86-98-6
  反应条件:1.1 4 H,240 °C; 240 °C -> Rt1.2 Solvents: Hexane; 15 Min,Rt2.1 Reagents: Phosphorus Oxychloride; 6 H,Rt -> Reflux; Reflux -> Rt2.2 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized,Rt
  标题:Design,Synthesis And Study Of Antibacterial And Antitubercular Activity Of Quinoline Hydrazone Hybrids
  作者:Shruthi,T. G.; Et Al
  参考文献:Heterocyclic Communications 日期:2020 卷标:26(1) 页码:137-147]
  
  3412-99-5 = 86-98-6
  反应条件:1.1 Reagents: Hexane Solvents: 1,1′-Biphenyl,Mixt. With 1,1′-Oxybis[benzene]; 15 Min,Rt2.1 Reagents: Phosphorus Oxychloride; 6 H,Rt -> Reflux; Reflux -> Rt2.2 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized,Cooled
  标题:Synthesis,Antituberculosis Studies And Biological Evaluation Of New Quinoline Derivatives Carrying 1,2,4-Oxadiazole Moiety
  作者:Shruthi,T. G.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2019 卷标:29(1) 页码:97-102]
  
  675578-65-1 = 86-98-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Overnight,Reflux1.2 Reagents: Water2.1 Reagents: Phosphorus Oxychloride Solvents: Phosphorus Oxychloride; 1 H,Reflux
  标题:A Novel Synthesis Of Substituted Quinolines Using Ring-Closing Metathesis (Rcm): Its Application To The Synthesis Of Key Intermediates For Anti-Malarial Agents
  作者:Theeraladanon,Chumpol; Et Al
  参考文献:Tetrahedron 日期:2004 卷标:60(13) 页码:3017-3035]
  
  21617-14-1 = 86-98-6
  反应条件:1.1 95 °C2.1 Solvents: Nitrobenzene; 90 °C3.1 Reagents: Phosphorus Oxychloride; Rt
  标题:Syntheses And Anti-Cholinesterase Activity Of 4-N-Phenylaminoquinoline Derivatives
  作者:Liu,Yuming; Et Al
  参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2017 卷标:38(3) 页码:392-397]
  
  86-99-7 = 86-98-6
  反应条件:1.1 Reagents: Dimethylformamide,Phosphorus Oxychloride Solvents: 1,2-Dichloroethane
  标题:Process For Producing 4-Chloroquinoline Derivatives
  参考文献:Hungary]
  
  86-99-7 = 86-98-6
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Phosphorus Oxychloride; 1 H,Reflux
  标题:A Novel Synthesis Of Substituted Quinolines Using Ring-Closing Metathesis (Rcm): Its Application To The Synthesis Of Key Intermediates For Anti-Malarial Agents
  作者:Theeraladanon,Chumpol; Et Al
  参考文献:Tetrahedron 日期:2004 卷标:60(13) 页码:3017-3035]
  
  23833-97-8 = 86-98-6
  反应条件:1.1 Reagents: Phosphorus Oxychloride; 2 H,Heated1.2 Reagents: Water; Cooled1.3 Reagents: Ammonium Hydroxide; Basified
  标题:Design,Synthesis And Biological Evaluation Of New Quinoline Derivatives As Potential Antitumor Agents
  作者:Su,Tong; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2019 卷标:178 页码:154-167]
  
  1077-74-3 = 86-98-6
  反应条件:1.1 Reagents: 3,5-Bis(1,1-Dimethylethyl) 1,4-Dihydro-2,6-Dimethyl-3,5-Pyridinedicarboxylate Catalysts: Eosin Solvents: Acetonitrile; 1 H,Rt
  标题:Highly Chemoselective Deoxygenation Of N-Heterocyclic N-Oxides Under Transition Metal-Free Conditions
  作者:Kim,Se Hyun; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2021 卷标:19(16) 页码:3735-3742]
  
  1803194-14-0 = 86-98-6
  反应条件:1.1 Reagents: Oxygen Catalysts: Iron Oxide (Nanoparticles,Nitrogen-Doped Graphene-Encapsulated),Graphene (Nitrogen-Doped,Iron Oxide Nanoparticle-Containing) Solvents: Heptane; 10 Bar -> 50 Bar,Rt; Rt -> 100 °C; 12 H,15 Bar,100 °C; 100 °C -> Rt1.2 Reagents: Dodecane Solvents: Ethyl Acetate; Rt
  标题:Synthesis And Characterization Of Iron-Nitrogen-Doped Graphene/core-Shell Catalysts: Efficient Oxidative Dehydrogenation Of N-Heterocycles
  作者:Cui,Xinjiang; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2015 卷标:137(33) 页码:10652-10658]
  
  86-47-5 = 86-98-6
  反应条件:1.1 Reagents: Phosphorus Oxychloride
  标题:4,7-Dichloroquinoline
  作者:Price,Charles C.; Et Al
  参考文献:Organic Syntheses 日期:1948 卷标:28 页码:38-41]
  
  87-13-8 = 86-98-6
  反应条件:1.1 Heated1.2 Reagents: Phosphorus Oxychloride
  标题:2-(Quinolin-4-Ylthio)-1,3,4-Oxadiazole Derivatives: Design,Synthesis,Antibacterial And Antifungal Studies
  作者:Modh,Rahul P.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2013 卷标:(10) 页码:1318-1324]
  
  87-13-8 = 86-98-6
  反应条件:1.1 4 H,110 °C; 110 °C -> Rt1.2 Solvents: Hexane; 15 Min,Rt2.1 4 H,240 °C; 240 °C -> Rt2.2 Solvents: Hexane; 15 Min,Rt3.1 Reagents: Phosphorus Oxychloride; 6 H,Rt -> Reflux; Reflux -> Rt3.2 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized,Rt
  标题:Design,Synthesis And Study Of Antibacterial And Antitubercular Activity Of Quinoline Hydrazone Hybrids
  作者:Shruthi,T. G.; Et Al
  参考文献:Heterocyclic Communications 日期:2020 卷标:26(1) 页码:137-147]
  
  21617-15-2 = 86-98-6
  反应条件:1.1 Solvents: Nitrobenzene; 90 °C2.1 Reagents: Phosphorus Oxychloride; Rt
  标题:Syntheses And Anti-Cholinesterase Activity Of 4-N-Phenylaminoquinoline Derivatives
  作者:Liu,Yuming; Et Al
  参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2017 卷标:38(3) 页码:392-397]
  
  57278-46-3 = 86-98-6
  反应条件:1.1 Solvents: Diphenyl Ether; Reflux2.1 Reagents: Phosphorus Oxychloride; 2 H,Heated2.2 Reagents: Water; Cooled2.3 Reagents: Ammonium Hydroxide; Basified
  标题:Design,Synthesis And Biological Evaluation Of New Quinoline Derivatives As Potential Antitumor Agents
  作者:Su,Tong; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2019 卷标:178 页码:154-167]
  
  54132-35-3 = 86-98-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol; Reflux2.1 Solvents: Diphenyl Ether; Reflux3.1 Reagents: Phosphorus Oxychloride; 2 H,Heated3.2 Reagents: Water; Cooled3.3 Reagents: Ammonium Hydroxide; Basified
  标题:Design,Synthesis And Biological Evaluation Of New Quinoline Derivatives As Potential Antitumor Agents
  作者:Su,Tong; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2019 卷标:178 页码:154-167]
  
  = 86-98-6
  反应条件:1.1 Catalysts: Grubbs Second Generation Catalyst Solvents: Dichloromethane; 1 H,50 °C2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; Overnight,Reflux2.2 Reagents: Water3.1 Reagents: Phosphorus Oxychloride Solvents: Phosphorus Oxychloride; 1 H,Reflux
  标题:A Novel Synthesis Of Substituted Quinolines Using Ring-Closing Metathesis (Rcm): Its Application To The Synthesis Of Key Intermediates For Anti-Malarial Agents
  作者:Theeraladanon,Chumpol; Et Al
  参考文献:Tetrahedron 日期:2004 卷标:60(13) 页码:3017-3035

海关参考信息

• 2903919090-氯苯
  2933310010-吡啶
  2939800000-其他生物碱
• 💡 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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• ➥ 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