CAS: 938-95-4; 2-(4-Chlorophenyl)Propanoic Acid

• 英文名称2-(4-Chlorophenyl)Propanoic Acid
• 中文名称2-(4-氯苯基)丙酸
• IUPAC名称2-(4-chlorophenyl)propanoic acid
• 其它别名4-(氯甲基)苯乙酸; 4-Chloro-Alpha-Methylphenylacetic Acid
• CAS编号938-95-4
• MFCD编号:MFCD00044670
• EINECS号:213-351-1
• FDA UNII编号:Q86TV64BDQ
• 分子式:C9H9ClO2
• 分子量:184.62
• 产品CID: 1982048
• 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: YOZILQVNIWNPFP-UHFFFAOYNA-N
• InChI=1/C9H9ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点57-61 °C
• 沸点121-126 °C at 0.2 mmHg
• 闪点133.6±20.4 °C
• 密度1.3±0.1 g/cm3
• pKa:4.21±0.10(预测)
• PSA:37.3
• LogP:2.5281
• 折射率1.555
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态白色至类白色固体
• 储存条件冰箱
• 产品应用该化合物用于有机合成,制药,农用化学品和DYESTFFES.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别4(经口)
  严重眼刺激 类别2
  皮肤致敏 类别1
  急性毒性 类别3(经口)
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H317 |可能引起皮肤过敏反应.
  H301 |吞咽会中毒.
• 防范说明P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志Xn
• 包装等级Ⅲ
• 安全声明26-36/37
• 危险类别码22-36-43
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 4445-13-0 = 938-95-4
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium; 1 H,Rt
  标题:Facile One-Pot Preparation Of 2-Arylpropionic And Arylacetic Acids From Cyanohydrins By Treatment With Aqueous Hi
  作者:Aramini,Andrea; Sablone,Manolo R.; Bianchini,Gianluca; Amore,Alessia; Fani,Michela; Et Al
  参考文献:Tetrahedron 日期:2009 卷标:65(10) 页码:2015-2021]
  
  50415-70-8 = 938-95-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol,Water; Rt; 3 H,85 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Pyrethroid Compound And Hair Growth Composition Thereby
  参考文献:Japan]
  
  1073-67-2 = 938-95-4
  反应条件:1.1 Reagents: Acetic Anhydride,Lithium Chloride Catalysts: Palladium Chloride,Diphenyl(2′,4′,6′-Trimethoxy[1,1′-Biphenyl]-2-Yl)Phosphine Solvents: 1,4-Dioxane; 24 H,70 °C
  标题:Pd-Catalyzed Regioselective Branched Hydrocarboxylation Of Terminal Olefins With Formic Acid
  作者:Ren,Wenlong; Wang,Mingzhou; Guo,Jianqiong; Zhou,Jintao; Chu,Jianxiao; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(3) 页码:886-891]
  
  1073-67-2 = 938-95-4
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid,Lithium Chloride,Water Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Methyl Ethyl Ketone1.2 -
  标题:Carbonylation Of Vinyl Aromatics: Convenient Regioselective Synthesis Of 2-Arylpropanoic Acids
  作者:Seayad,A.; Jayasree,S.; Chaudhari,R. V.
  参考文献:Organic Letters 日期:1999 卷标:1(3) 页码:459-461]
  
  75155-27-0 = 938-95-4
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
  标题:Synthesis Of Benzyllithiums: Study Of Their Reactivity Vis-A-Vis Carbon-Carbon Double Bonds
  作者:Barbeaux,Philippe
  参考文献:1991]
  
  107727-65-1 = 938-95-4
  反应条件:1.1 Reagents: Dimethyl Sulfoxide,Acetic Anhydride
  标题:The Oxidation Of Aldehyde Bisulfite Adducts To Carboxylic Acids And Their Derivatives With Dimethyl Sulfoxide And Acetic Anhydride
  作者:Wuts,Peter G. M.; Bergh,Carol L.
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(34) 页码:3995-8]
  
  622-98-0 = 938-95-4
  反应条件:1.1 Catalysts: 2,4,5,6-Tetra(9H-Carbazol-9-Yl)Isophthalonitrile Solvents: Dimethylformamide; 5 Min,Rt1.2 Catalysts: Triisopropylsilanethiol; Rt -> 0 °C; 24 H,0 °C
  标题:Photocarboxylation Of Benzylic C-H Bonds
  作者:Meng,Qing-Yuan; Schirmer,Tobias E.; Berger,Anna Lucia; Donabauer,Karsten; Koenig,Burkhard
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(29) 页码:11393-11397]
  
  1878-66-6 = 938-95-4
  反应条件:1.1 Reagents: Butyllithium,Diisopropylethylamine Solvents: Tetrahydrofuran,Hexane; 0 °C -> Rt; 30 Min,Rt; Rt -> -15 °C1.2 -15 °C; 1 H,-15 °C1.3 Overnight,-15 °C -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Functionalization Of α-C(Sp3)-H Bonds In Amides Using Radical Translocating Arylating Groups
  作者:Radhoff,Niklas; Studer,Armido
  参考文献:Angewandte Chemie 日期:2021 卷标:60(7) 页码:3561-3565]
  
  50415-70-8 = 938-95-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; 8 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1,Rt
  标题:Preparation Of Azabicyclo[3.2.1]Octanyl Derivatives And Diazepine Derivatives,Especially Tropine,Atropine And Nortropine Derivatives And Pirenzepines,As Muscarinic Receptor Modulators For Treating Ocular Disorders
  参考文献:World Intellectual Property Organization]
  
  99838-93-4 = 938-95-4
  反应条件:1.1 Solvents: Water; 16 H,Ph 8,30 °C
  标题:Enantioselective Hydrolysis Of Racemic Ibuprofen Amide To S-(+)-Ibuprofen By Rhodococcus Aj270
  作者:Snell,David; Colby,John
  参考文献:Enzyme And Microbial Technology 日期:1999 卷标:24 页码:160-163]
  
  197314-06-0 = 938-95-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Acetone,Water1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:An Interesting Synthetic Application Of S-Alkyl (Aryl)Bis(Alkylsulfanyl)Thioacetates: General Procedure For The Preparation Of (+/-)-α-Arylpropionic Acids
  作者:Clericuzio,Marco; Degani,Iacopo; Dughera,Stefano; Fochi,Rita
  参考文献:Synthesis 日期:2002 卷标:(7) 页码:921-927]
  
  50415-70-8 = 938-95-4
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; Overnight,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Preparation Of Triazolopyrimidine Derivatives And Analogs As Axl Receptor Tyrosine Kinase Function Inhibitors
  参考文献:World Intellectual Property Organization]
  
  1073-67-2 = 938-95-4
  反应条件:1.1 Reagents: Acetic Anhydride,Lithium Chloride Catalysts: Palladium Chloride,Diphenyl(2′,4′,6′-Trimethoxy[1,1′-Biphenyl]-2-Yl)Phosphine Solvents: 1,4-Dioxane; 24 H,70 °C
  标题:Method For Preparing Branched Carboxylic Acid Compound With Palladium Chloride As Catalyst
  参考文献:China]
  
  50415-70-8 = 938-95-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 5 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7.5 - 8.5; Ph 1 - 2
  标题:Application Of Propiophenone Rearrangement By 1,2-Aryl Shift In Poly[styrene(Iodosodiacetate)]
  作者:Chen,Wen-Hua
  参考文献:Huaxue Shiji 日期:2006 卷标:28(7) 页码:426-428]
  
  86998-05-2 = 938-95-4
  反应条件:1.1 Reagents: Water Solvents: Water
  标题:Reductive Desulfonylation Of 2-Aryl-2-Benzysulfonylacetates And -Propionates With Sodium Amalgam. A New Synthesis Of 2-Arylacetic And 2-Arylpropionic Acids
  作者:Kuo,Ying Che; Aoyama,Toyohiko; Shioiri,Takayuki
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1983 卷标:31(3) 页码:883-6]
  
  1073-67-2 = 938-95-4
  反应条件:1.1 Reagents: Hydrochloric Acid Catalysts: Molybdovanadophosphoric Acid (H5Pmo10V2O40),Dichlorobis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran,Water1.2 16 H,600 Psi,80 °C
  标题:Effect Of Heteropoly Acids On The Hydrocarboxylation Of Styrene: Comparative Study On Hydrocarboxylation And Hydroesterification Reactions
  作者:El Ali,Bassam
  参考文献:Reaction Kinetics And Catalysis Letters 日期:2002 卷标:77(2) 页码:227-236]
  
  1073-67-2 = 938-95-4
  反应条件:1.1 Reagents: Triethylamine,Oxygen Catalysts: Nickel Monoxide,Nickel,Tris(2,2′-Bipyridyl)Ruthenium(Ii) Chloride Solvents: Dimethylacetamide; 24 H,Rt
  标题:Nickel/nickel Oxide In Combination With A Photoredox Catalyst For The Reductive Carboxylation Of Unsaturated Hydrocarbons With Co2 Under Visible-Light Irradiation
  作者:Saini,Sandhya; Singh,Hari; Prajapati,Pankaj Kumar; Sinha,Anil K.; Jain,Suman L.
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2019 卷标:7(13) 页码:11313-11322]
  
  1878-66-6 = 938-95-4
  反应条件:1.1 Reagents: Hexamethylphosphoramide,Lithium Diisopropylamide Solvents: Tetrahydrofuran,Hexane; 2 Min,-78 °C1.2 Solvents: Tetrahydrofuran; -78 °C -> 23 °C; 45 Min,23 °C; 23 °C -> 50 °C; 5 Min,50 °C; 50 °C -> 0 °C1.3 0 °C -> 23 °C; 30 Min,23 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Preparation Of N-[3-(2-Pyridyloxy Or Phenoxy)Propyl]Benzylamine Derivatives As Modulating Agents For Liver X Receptors (Lxr)
  参考文献:World Intellectual Property Organization]
  
  76263-91-7 = 938-95-4
  反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1)
  标题:Preparation Of Co-Dimers Of Styrene And P-Chlorostyrene With Regulated Monomer Sequences Using Phosphates
  作者:Kasai,Hideaki; Kawabata,Hiroshi; Yamaguchi,Kazuo; Nakahama,Seiichi; Yamazaki,Noboru
  参考文献:Polymer Bulletin (Berlin 日期:1983 卷标:9(10-11) 页码:487-94]
  
  99-91-2 = 938-95-4
  反应条件:1.1 Reagents: Titanium Tetrachloride,Lithium Aluminum Hydride Solvents: Tetrahydrofuran1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:A New Method For The Preparation Of 2-Arylpropionic Acids Using Low-Valent Titanium
  作者:Garcia,Mariano; Del Campo,Carmen; Sinisterra,Jose V.; Llama,Emilio F.
  参考文献:Tetrahedron Letters 日期:1993 卷标:34(49) 页码:7973-4

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2903919090-氯苯
  2905121000-正丙醇
• 💡 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

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