CAS: 86-87-3; 1-Naphthaleneacetic Acid

• ⚠️危险化学品目录 类别: 毒害品和感染性物品
• 英文名称1-Naphthaleneacetic Acid
• 中文名称1-萘乙酸
• IUPAC名称1-Naphthaleneacetic acid
• 其它别名1-萘乙酸; α-萘乙酸; 1-萘基乙酸; α-萘醋酸; 萘乙酸; 1-Naphthylacetic Acid
• CAS编号86-87-3
• MFCD编号:MFCD00004046
• EINECS号:201-705-8
• 分子式:C12H10O2
• 分子量:186.2062
• 产品CID: 1872238
• 产品分类有机原料→分子砌块→芳环类化合物→萘类化合物

• 相似结构搜索
• InChIKey: PRPINYUDVPFIRX-UHFFFAOYSA-N
• InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)…
• 计算化学: 氢键受体数1.0氢键供体数1可旋转键数2

相似化合物

物理性质

• 熔点129.0-131.5°C
• 沸点280.69 °C at 760 mmHg
• 闪点270.1±14.4 °C
• 密度1.2±0.1 g/cm3
• PH:3.0 (0.6g/l, H2O, 25°C)
• pKa:4.30±0.30(预测)
• PSA:37.3
• LogP:2.4669
• 折射率1.652
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Acetone: 50 mg/mL, Clear
• 敏感性本品具有中等毒性，刺激皮肤及黏膜，对中枢神经有麻痹作用。生产过程中应注意防护，特别是干燥工段，应注意通风良好，防止粉尘飞扬，操作人员应穿戴劳动保护用具。
• 外观形态淡黄色结晶
• 储存条件密封, 常温干燥保存
• 产品应用用于有机合成,用作植物生长刺激素.
• 性质描述白色结晶,熔点126-133.5°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  水生慢性毒性 类别3
  严重眼刺激 类别2
  生殖毒性 类别2
  水生慢性毒性 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H412 |对水生生物有害并具有长期持续影响.
  H319 |造成严重眼刺激.
  H361 |怀疑对生育能力或胎儿造成损害.
  H411 |对水生生物有毒并具有长期持续影响.
  H361d |怀疑对胎儿造成损害.
  H332 |吸入有害.
  H312 |皮肤接触有害.
• 防范说明P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险等级9
• UN编号3077.0
• 危险品标志Xi,Xn,C
• 包装等级Ⅲ
• 安全声明26-36-24/25-36/39-22-23-45-36/37/39-27
• 危险类别码36/37/38-22-68-41-37/38-34
• 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 1-Naphthaleneacetic Acid 主要起始原料 Naphthalene And Chloroacetic Acid
• 773-99-9 = 86-87-3
  反应条件:1.1 Reagents: Periodic Acid (H5Io6) Catalysts: Pyridinium Chlorochromate Solvents: Acetonitrile; 15 Min,Rt
  标题:Carboxylic Acids From Primary Alcohols And Aldehydes By A Pyridinium Chlorochromate-Catalyzed Oxidation
  作者:Hunsen,Mo
  参考文献:Synthesis 日期:2005 卷标:(15) 页码:2487-2490]
  
  2876-78-0 = 86-87-3
  反应条件:1.1 Reagents: Sodium Hydrogen Telluride Solvents: Dimethylformamide
  标题:A Novel O-Alkyl Cleavage Of Carboxylic Esters Effected By Tellurium Reagents
  作者:Chen,Jian; Et Al
  参考文献:Synthesis 日期:1987 卷标:(6) 页码:586-7]
  
  = 86-87-3
  反应条件:1.1 Catalysts: Iron Chloride (Fecl3),Potassium Bromide; 15 H,200 °C
  标题:Synthesis Of Naphthylacetic Acid By Naphthalene And Chloroacetic Acid
  作者:Zhang,Xiu-Li; Et Al
  参考文献:Anhui Nongye Daxue Xuebao 日期:2007 卷标:34(1) 页码:134-137]
  
  91668-57-4 = 86-87-3
  反应条件:1.1 Reagents: Hydrochloric Acid
  标题:Efficient Method For A One-Carbon Homologation Of Aldehydes And Benzophenone To Carboxylic Acids
  作者:Takahashi,Kazumasa; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1983 卷标:48(20) 页码:3566-9]
  
  2345634-58-2 = 86-87-3
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 5 Min,Rt
  标题:A 4-Otbs Benzyl-Based Protective Group For Carboxylic Acids
  作者:Fang,Zhijun; Et Al
  参考文献:Tetrahedron Letters 日期:2019 卷标:60(25) 页码:1658-1662]
  
  86-52-2 = 86-87-3
  反应条件:1.1 Reagents: Water Catalysts: Palladium Diacetate Solvents: Tetrabutylammonium Chloride; 4 H,5 Mpa,110 °C
  标题:Exceptionally Simple Catalytic System For The Carbonylation Of Benzyl Halides
  作者:Lapidus,Albert L.; Et Al
  参考文献:Mendeleev Communications 日期:2009 卷标:19(5) 页码:256-257]
  
  4372-76-3 = 86-87-3
  反应条件:1.1 Reagents: Sodium Carbonate,Sodium Thiosulfate,Silver Oxide (Ag2O) Solvents: 1,4-Dioxane,Water
  标题:A Method For Conversion Of Carboxylic Acids To Higher Homologs Or Their Derivatives
  作者:Arndt,F.; Et Al
  参考文献:Berichte Der Deutschen Chemischen Gesellschaft [abteilung] B: Abhandlungen 日期:1935 卷标:68 页码:200-8]
  
  4372-76-3 = 86-87-3
  反应条件:1.1 Reagents: Benzyl Alcohol,Collidine
  标题:The Use Of Higher Diazohydrocarbons In The Arndt-Eistert Synthesis
  作者:Wilds,A. L.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1948 卷标:13 页码:763-79]
  
  86-86-2 = 86-87-3
  反应条件:1.1 Reagents: Water Catalysts: Niobium Pentoxide; 30 H,Reflux
  标题:Hydrolysis Of Amides To Carboxylic Acids Catalyzed By Nb2O5
  作者:Siddiki,S. M. A. Hakim; Et Al
  参考文献:Catalysis Science & Technology 日期:2021 卷标:11(5) 页码:1949-1960]
  
  85387-86-6 = 86-87-3
  反应条件:1.1 Reagents: Tetrabutylammonium Iodide Solvents: Dimethylformamide; 5 Min,1 Atm,Rt; 6 H,30 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Desulfonylative Electrocarboxylation With Carbon Dioxide
  作者:Zhong,Jun-Song; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(22) 页码:16162-16170]
  
  16430-29-8 = 86-87-3
  反应条件:1.1 Reagents: Cesium Carbonate,Cesium Fluoride Catalysts: 1,1-Bis(Diphenylphosphino)Ferrocene,Bis(Dichloro(η6-P-Cymene)Ruthenium) Solvents: Dimethylformamide; 24 H,1 Atm,80 °C; 80 °C -> 25 °C1.2 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water; 25 °C
  标题:Ruthenium-Catalyzed Umpolung Carboxylation Of Hydrazones With Co2
  作者:Yan,Si-Shun; Et Al
  参考文献:Chemical Science 日期:2018 卷标:9(21) 页码:4873-4878]
  
  = 86-87-3
  反应条件:1.1 Solvents: Dimethylformamide; 1 Atm,Rt; 24 H,1 Atm,50 °C1.2 Reagents: Hydrochloric Acid Solvents: Water1.3 Reagents: Sodium Hydroxide Solvents: Diethyl Ether,Water1.4 Reagents: Hydrochloric Acid Solvents: Water; < Ph 2
  标题:Transition-Metal-Free Carboxylation Of Organozinc Reagents Using Co2 In Dmf Solvent
  作者:Kobayashi,Koji; Et Al
  参考文献:Organic Letters 日期:2009 卷标:11(9) 页码:2035-2037]
  
  773-99-9 = 86-87-3
  反应条件:1.1 Reagents: Periodic Acid Catalysts: Pyridinium Fluorochromate Solvents: Acetonitrile; 15 Min,Rt; Cooled; 3 H
  标题:Fluorochromate-Catalyzed Periodic Acid Oxidation Of Alcohols And Aldehydes
  作者:Hunsen,Mo
  参考文献:Journal Of Fluorine Chemistry 日期:2005 卷标:126(9-10) 页码:1356-1360]
  
  132-75-2 = 86-87-3
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Acetic Acid,Water
  标题:A Synthesis Of α-Naphthylacetic Acid And Some Homologs
  作者:Manske,Richard H. F.; Et Al
  参考文献:Canadian Journal Of Research 日期:1939 卷标:17 页码:14-20]
  
  132-75-2 = 86-87-3 [标题:Reaction Conditions
  标题:Microbial Hydrolysis As A Potent Method For The Preparation Of Optically Active Nitriles,Amides And Carboxylic Acids
  作者:Kakeya,Hideaki; Et Al
  参考文献:Tetrahedron Letters 日期:1991 卷标:32(10) 页码:1343-6]
  
  2876-78-0 = 86-87-3
  反应条件:1.1 Reagents: Thiophenol Catalysts: Potassium Carbonate Solvents: N-Methyl-2-Pyrrolidone
  标题:A Mild And Chemoselective Method For Ester O-Alkyl Cleavage Using In Situ Generated Potassium Thiophenoxide From Catalytic Quantities Of Base
  作者:Sharma,Lalima; Et Al
  参考文献:Tetrahedron 日期:1999 卷标:55(31) 页码:9595-9600]
  
  2876-78-0 = 86-87-3
  反应条件:1.1 Reagents: Thiophenol Catalysts: Potassium Fluoride Solvents: N-Methyl-2-Pyrrolidone
  标题:Influence Of Hydrogen Bonding In The Activation Of Nucleophiles: Phsh-(Catalytic) Kf In N-Methyl-2-Pyrrolidone As An Efficient Protocol For Selective Cleavage Of Alkyl/aryl Esters And Aryl Alkyl Ethers Under Nonhydrolytic And Neutral Conditions
  作者:Chakraborti,Asit K.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2002 卷标:67(8) 页码:2541-2547]
  
  = 86-87-3
  反应条件:1.1 Catalysts: Potassium Bromide; 4 H,Rt -> 224 °C; 25 H,180 - 224 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 50 Min,Ph 9 - 10,95 °C; Cooled1.3 Reagents: Hydrogen Ion Solvents: Water; Acidified
  标题:Study On The Synthesis Of α-Naphthaleneacetic Acid
  作者:Ma,Bingjie; Et Al
  参考文献:Nongyao 日期:2004 卷标:43(9) 页码:412-413]
  
  119670-67-6 = 86-87-3
  反应条件:1.1 Reagents: Sodium Hydrogen Telluride Solvents: Dimethylformamide
  标题:Convenient Synthesis And Facile Cleavage Of Phenacyl Esters
  作者:Huang,Zhizhen; Et Al
  参考文献:Synthetic Communications 日期:1988 卷标:18(10) 页码:1167-70]
  
  86-52-2 = 86-87-3
  反应条件:1.1 Catalysts: (Oc-6-13)-Diaquabis[2-(1H-Benzimidazol-2-Yl-Kn3)Benzoato-Ko]Cobalt Solvents: 1-Butanol; 2 H,60 °C; 60 °C -> Rt1.2 Reagents: Sodium Hydroxide Catalysts: Tetrabutylammonium Iodide; 22 H,60 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2,0 °C
  标题:An Efficiently Cobalt-Catalyzed Carbonylative Approach To Phenylacetic Acid Derivatives
  作者:She,Meng-Yao; Et Al
  参考文献:Tetrahedron 日期:2013 卷标:69(35) 页码:7264-7268]
  
  43017-75-0 = 86-87-3
  反应条件:1.1 Reagents: Oxygen Catalysts: N-Hydroxyphthalimide Solvents: Acetonitrile; 3 H,30 °C
  标题:Organocatalyzed Aerobic Oxidation Of Aldehydes To Acids
  作者:Dai,Peng-Fei; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(5) 页码:1393-1396]
  
  3163-27-7 = 86-87-3
  反应条件:1.1 Reagents: Dabco,Potassium Formate Catalysts: Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[2-(2-Pyri... Solvents: Dimethyl Sulfoxide; 24 H,1 Atm,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Visible-Light-Driven Reductive Carboxylation Of Benzyl Bromides With Carbon Dioxide Using Formate As Terminal Reductant
  作者:Hang,Wei; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2023 卷标:88(8) 页码:5007-5014

海关参考信息

• 2902600000-乙苯
  2902902000-精萘
  2912110000-甲醛
  2912120000-乙醛
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