CAS: 89-54-3; 5-Amino-2-Chlorobenzoic Acid

• 英文名称5-Amino-2-Chlorobenzoic Acid
• 中文名称5-氨基-2-氯苯甲酸
• IUPAC名称5-amino-2-chlorobenzoic acid
• 其它别名2-氯-5-氨基苯甲酸; 2-Chloro-5-Aminobenzoicacid
• CAS编号89-54-3
• MFCD编号:MFCD00007845
• EINECS号:201-916-5
• 分子式:C7H6ClNO2
• 分子量:171.58
• 产品CID: 1917220
• 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: GVCFFVPEOLCYNN-UHFFFAOYSA-N
• InChI=1S/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数1.0

物理性质

• 熔点184-188°C
• 沸点250 °C at 760 mmHg
• 闪点179.6±23.7 °C
• 密度1.5±0.1 g/cm3
• pKa:1.99±0.25(预测)
• PSA:63.32
• LogP:1.6204
• 折射率1.649
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性479Mg/l
• 外观形态白色至淡黄色粉末至晶体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用防光晕染料的中间体.
• 性质描述针状体结晶.熔点188°C,溶于水和乙醇.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 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
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36
• 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 5-Amino-2-Chlorobenzoic Acid 主要起始原料 2-Chloro-5-Nitrobenzoic Acid
• 2516-96-3 = 89-54-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum,Rhenium,Cadmium Solvents: Acetone,Ethyl Acetate; 4 - 4.2 H,2 - 2.5 Mpa,80 °C
  标题:Liquid Phase Catalytic Reduction Of Nitro Compounds Containing Halogen And Aromatic Heterocycles
  作者:Zhandarev,V. V.; Goshin,M. E.; Kazin,V. N.; Mironov,G. S.
  参考文献:Khimicheskaya Tekhnologiya (Moscow 日期:2005 卷标:(9) 页码:10-16]
  
  135812-31-6 = 89-54-3
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane1.2 Reagents: Water Solvents: Dichloromethane,Water
  标题:Selective Deprotection Of Isopropyl Esters,Carbamates And Carbonates With Aluminum Chloride
  作者:Chee,Gaik-Lean
  参考文献:Synlett 日期:2001 卷标:(10) 页码:1593-1595]
  
  2516-96-3 = 89-54-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Dioxide Solvents: Ethanol
  标题:Heterocyclic Basic Compounds. Xv. Benzacridine Derivatives
  作者:Spalding,David P.; Chapin,Earl C.; Mosher,Harry S.
  参考文献:Journal Of Organic Chemistry 日期:1954 卷标:19 页码:357-64]
  
  2516-96-3 = 89-54-3
  反应条件:1.1 Reagents: Hydrogen Solvents: Ethanol
  标题:Nonsteroidal Antiinflammatory Agents. Iii. Synthesis Of The Metabolites Of 10,11-Dihydro-8,α-Dimethyl-11-Oxodibenz[b,F]Oxepin-2-Acetic Acid (Bermoprofen)
  作者:Hino,Katsuhiko; Nakamura,Hideo; Kato,Shiro; Irie,Akira; Nagai,Yasutaka; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1988 卷标:36(9) 页码:3462-7]
  
  2516-96-3 = 89-54-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 9 H,40 °C
  标题:Effect Of The Structure Of Nitroarenes On Their Reduction By Brewers' Yeast (Saccharomyces Cerevisiae)
  作者:Begunov,R. S.; Kosareva,T. N.; Orlov,V. U.
  参考文献:Izvestiya Vysshikh Uchebnykh Zavedenii 日期:2005 卷标:48(11) 页码:56-57]
  
  2516-96-3 = 89-54-3
  反应条件:1.1 Catalysts: 8-Hydroxyquinoline,Platinum Solvents: Ethanol; 30 Min,80 °C1.2 Reagents: Hydrazine Hydrate (1:1); 240 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; Wang,Xueguang; Xing,Zhikang; Chen,Xiubin; Zou,Xiujing; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2019 卷标:7(9) 页码:8908-8916]
  
  2516-96-3 = 89-54-3
  反应条件:1.1 Reagents: Hydrogen,Hydrazine Hydrate (1:1) Catalysts: Hexadecyl-3-Methylimidazolium Bromide (Ruthenium Supported) Solvents: Ethanol; 4 H,2 Mpa,40 °C
  标题:Preparation Of Well-Ordered Mesoporous-Silica-Supported Ruthenium Nanoparticles For Highly Selective Reduction Of Functionalized Nitroarenes Through Transfer Hydrogenation
  作者:Wei,Ning; Zou,Xiujing; Huang,Haigen; Wang,Xueguang; Ding,Weizhong; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2018 卷标:2018(2) 页码:209-214]
  
  1321-74-0 + 89-54-3 = 89-54-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 4 H,40 °C1.2 Reagents: Ammonium Chloride Solvents: Water; 40 °C1.3 Reagents: Boron Trifluoride Etherate,Tert-Butyl Nitrite Solvents: Tetrahydrofuran; 30 Min,0 °C
  标题:The Structural Influence In The Stability Of Polymer-Bound Diazonium Salts
  作者:Brase,Stefan; Dahmen,Stefan; Popescu,Crisan; Schroen,Maarten; Wortmann,Franz-Josef
  参考文献:Chemistry - A European Journal 日期:2004 卷标:10(21) 页码:5285-5296

海关参考信息

• 2903919090-氯苯
  2905110000-甲醇
  2906210000-苄醇
  2912110000-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

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