CAS: 89-51-0; 2-(Carboxymethyl)Benzoic Acid

• 英文名称2-(Carboxymethyl)Benzoic Acid
• 中文名称邻羧基苯乙酸
• IUPAC名称2-(carboxymethyl)benzoic acid
• 其它别名2-羧基苯乙酸; 高酞酸; O-Carboxyphenylacetic Acid; Homophthalic Acid
• CAS编号89-51-0
• MFCD编号:MFCD00004326
• EINECS号:201-913-9
• FDA UNII编号:3GE2MUV5GV
• 分子式:C9H8O4
• 分子量:180.16
• 产品CID: 1916868
• 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: ZHQLTKAVLJKSKR-UHFFFAOYSA-N
• InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数3.0

物理性质

• 熔点178-182°C
• 沸点389.5°C at 760 mmHg
• 闪点203.5°C
• 密度1.4±0.1 g/cm3
• pKa:3.72±0.36(预测)
• PSA:74.6
• LogP:1.0119
• 折射率1.600
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Soluble In Dimethylformamide
• 外观形态类白色至淡黄色或浅绿色粉末
• 储存条件密封, 常温干燥保存
• 产品应用有机合成中间体.
• 性质描述白色晶体,熔点183-186°C.

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
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明22-24/25-37/39-26-36/37/39-27
• 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

• 95-13-6 = 89-51-0
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Iron Oxide (Fe3O4) Solvents: Acetonitrile; 3 H,Reflux
  标题:Highly Efficient Oxidative Cleavage Of Alkenes And Cyanosilylation Of Aldehydes Catalysed By Magnetically Recoverable Mil-101
  作者:Nourian,Maryam; Zadehahmadi,Farnaz; Kardanpour,Reihaneh; Tangestaninejad,Shahram; Moghadam,Majid; Et Al
  参考文献:Applied Organometallic Chemistry 日期:2018 卷标:32(1)]
  
  118-90-1 = 89-51-0
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran
  标题:Lateral Lithiation Reactions Promoted By Heteroatomic Substituents
  作者:Clark,Robin D.; Jahangir,Alam
  参考文献:Organic Reactions (Hoboken 日期:1995 卷标:47]
  
  528-46-1 = 89-51-0
  反应条件:1.1 Reagents: Phosphoric Acid,Potassium Iodide,Phosphorus; 4 H,Heated
  标题:Reduction With Phosphorus In The Presence Of Iodine Or Hydriodic Acid As Catalyst
  作者:Miescher,K.; Billeter,J. R.
  参考文献:Helvetica Chimica Acta 日期:1939 卷标:22 页码:601-10]
  
  144-55-8 + 88-67-5 = 89-51-0
  反应条件:1.1 Reagents: Tributylstannane Catalysts: 1,3-Dinitrobenzene Solvents: Water1.2 -
  标题:Aqueous Organotin Chemistry: Tin Hydride Mediated Dehalogenation Of Organohalides And A Novel Organotin Mediated Nucleophilic Substitution On 2-Iodobenzoates In Water
  作者:Sarma,Koushik Das; Maitra,Uday
  参考文献:Tetrahedron 日期:1998 卷标:54(19) 页码:4965-4976]
  
  938-38-5 = 89-51-0
  反应条件:1.1 Solvents: Water
  标题:Homophthalic Acid
  作者:Smith,P. A. S.; Kan,R. O.
  参考文献:Organic Syntheses 日期:1964 卷标:44 页码:62-3]
  
  95-13-6 = 89-51-0
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: 1-Butanaminium,N,N,N-Tributyl-,(μ-Oxodioxodimolybdate)Tricosa-μ-Oxononaoxo[μ12...,Mil 101(Cr) Solvents: Acetonitrile,Water; 3 H,70 °C
  标题:The Effect Of Encapsulated Zn-Pom On The Catalytic Activity Of Mil-101 In The Oxidation Of Alkenes With Hydrogen Peroxide
  作者:Saedi,Zahra; Tangestaninejad,Shaharm; Moghadam,Majid; Mirkhani,Valiollah; Mohammadpoor-Baltork,Iraj
  参考文献:Journal Of Coordination Chemistry 日期:2012 卷标:65(3) 页码:463-473]
  
  95-13-6 = 89-51-0
  反应条件:1.1 Reagents: Sulfuric Acid,Potassium Dichromate Solvents: Water
  标题:Preparation Of Homophthalyl Cyclic Hydrazide And 4- Aminohomophthalyl Cyclic Hydrazide
  作者:Whitmore,Willet F.; Cooney,Robert C.
  参考文献:Journal Of The American Chemical Society 日期:1944 卷标:66 页码:1237-40]
  
  95-13-6 = 89-51-0
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Mil 101(Cr) Solvents: Acetonitrile; 120 Min,70 °C
  标题:Nanocoating Of Hydrophobic Mesoporous Silica Around Mil-101Cr For Enhanced Catalytic Activity And Stability
  作者:Ying,Jie; Herbst,Annika; Xiao,Yu-Xuan; Wei,Hao; Tian,Ge; Et Al
  参考文献:Inorganic Chemistry 日期:2018 卷标:57(3) 页码:899-902]
  
  95-13-6 = 89-51-0
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Diaquatris[μ-[1,4-Benzenedicarboxylato(2-)-Ko1:Ko′1]]Fluoro-μ3-Oxotrichromium,Diaquatris[μ-[1,4-Benzenedicarboxylato(2-)-Ko1:Ko′1]]Hydroxy-μ3-Oxotrichromium Solvents: Acetonitrile,Water; 3 H,70 °C
  标题:Mil-101 Metal-Organic Framework: A Highly Efficient Heterogeneous Catalyst For Oxidative Cleavage Of Alkenes With H2O2
  作者:Saedi,Zahra; Tangestaninejad,Shahram; Moghadam,Majid; Mirkhani,Valiollah; Mohammadpoor-Baltork,Iraj
  参考文献:Catalysis Communications 日期:2012 卷标:17 页码:18-22]
  
  703-59-3 = 89-51-0
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
  标题:Fused S-Triazino Heterocycles. Xv. 13H-4,6,7,13A,13C-Pentaazabenzo[hi]Chrysene,13H-4,7,13A,13C-Tetraazabenzo[hi]Chrysene,And 7H-3,7,10,10B-Tetraazacyclohepta[de]Naphthalene,Three New Ring Systems
  作者:Shaw,John T.; Corbett,Wendy L.; Layman,Deanna L.; Cuny,Gregory D.; Kerschner,Judith L.
  参考文献:Journal Of Heterocyclic Chemistry 日期:1988 卷标:25(6) 页码:1837-40]
  
  105858-66-0 = 89-51-0
  反应条件:1.1 Solvents: Tetrahydrofuran
  标题:An Investigation Of The Di-Grignard Approach To Metallabenzocyclobutenes Of Group 14
  作者:De Boer,H. J. R.; Akkerman,O. S.; Bickelhaupt,F.
  参考文献:Journal Of Organometallic Chemistry 日期:1987 卷标:321(3) 页码:291-306]
  
  95-13-6 = 89-51-0
  反应条件:1.1 Catalysts: Osmium Tetroxide Solvents: Acetone,Water
  标题:A Convenient,Mild Method For Oxidative Cleavage Of Alkenes With Jones Reagent/osmium Tetraoxide
  作者:Henry,James R.; Weinreb,Steven M.
  参考文献:Journal Of Organic Chemistry 日期:1993 卷标:58(17)]
  
  118-90-1 + 4111-54-0 = 89-51-0 [标题:Reaction Conditions
  标题:Carboxylation Of Dilithium Ortho-Toluates
  作者:Hauser,Frank M.; Rhee,Richard
  参考文献:Synthesis 日期:1977 卷标:(4) 页码:245-6]
  
  141-97-9 + 88-67-5 = 89-51-0
  反应条件:1.1 Reagents: Dibutyltin Dichloride,Diisopropylethylamine Solvents: Toluene1.2 Reagents: Sodium Carbonate Solvents: Water
  标题:Aqueous Organotin Chemistry: Part 3 - Triphenyltin Hydride And Di-N-Butyltin Dichloride Mediated Nucleophilic Substitution Of 2-Iodobenzoates In Water
  作者:Sarma,Koushik Das; Maitra,Uday
  参考文献:Indian Journal Of Chemistry 日期:2001 卷标:(11) 页码:1148-1150]
  
  95-13-6 = 89-51-0
  反应条件:1.1 Reagents: Sulfuric Acid,Potassium Dichromate Solvents: Water
  标题:Homophthalic Acid And Anhydride
  作者:Grummitt,Oliver; Egan,Richard; Buck,Allen
  参考文献:Organic Syntheses 日期:1949 卷标:29 页码:49-52]
  
  = 89-51-0
  反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: 1,4-Dioxane,Water; Rt -> 80 °C; 45 H,80 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Basified1.3 Reagents: Sulfuric Acid Solvents: Water; Acidified
  标题:Synthesis Of Chlorohomophthalic Acids,Key Intermediates In The Synthesis Of Chlorinated Isocoumarins
  作者:Joseph,Augustine R.; Kumbhar,Virendra B.; Ranade,Anup A.; Paradkar,Madhusudan V.
  参考文献:Journal Of Chemical Research 日期:2007 卷标:(2) 页码:91-93]
  
  95-13-6 = 89-51-0
  反应条件:1.1 Reagents: Sulfuric Acid,Potassium Dichromate Solvents: Water; Rt -> 65 °C1.2 65 °C; 2 H,65 °C; 65 °C -> Rt; Overnight,Cooled
  标题:Synthesis And Anti-Cancer Activities Of 6-Arylindenoisoquinolines
  作者:Wang,Tian-Lin; Xiang,Hua; Xu,Xiao-Li; Xiao,Hong; You,Qi-Dong
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2012 卷标:22(4) 页码:268-275]
  
  264-08-4 = 89-51-0
  反应条件:1.1 Solvents: Acetic Acid
  标题:New Syntheses Of Cyclopolyenes. Vi. Benzocycloheptatriene,Benzocycloöctatriene,And Benzocycloöctatetraene
  作者:Wittig,Georg; Eggers,Heinrich; Duffner,Paul
  参考文献:Justus Liebigs Annalen Der Chemie 日期:1958 卷标:619 页码:10-27

海关参考信息

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  2912120000-乙醛
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