CAS: 88-65-3; 2-Bromobenzoic Acid

• 英文名称2-Bromobenzoic Acid
• 中文名称2-溴苯甲酸
• IUPAC名称2-bromobenzoic acid
• 其它别名2-溴安息香酸; 2溴苯甲酸; O-Bromobenzoic Acid; 2-Bromobenzoic Acid
• CAS编号88-65-3
• MFCD编号:MFCD00002402
• EINECS号:201-848-6
• 分子式:C7H5BrO2
• 分子量:201.02
• 产品CID: 1904150
• 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: XRXMNWGCKISMOH-UHFFFAOYSA-N
• InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点147-150°C
• 沸点86 °C at 4-5 mmHg
• 闪点133.1±22.6 °C
• 密度1.7±0.1 g/cm3
• pKa:2.84(at 25°C)
• PSA:37.3
• LogP:2.1473
• 折射率1.608
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性95% Ethanol: Soluble100mg/mL, Clear, Colorless To Yellow
• 外观形态白色至淡黄色或米色粉末
• 储存条件密封, 常温干燥保存
• 产品应用医药中间体.
• 性质描述白色结晶,熔点:MP148-150,微溶于水.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 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
  严重眼刺激 类别2
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
• 警示词Warning(警告)
• 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.
  H319 |造成严重眼刺激.
  H332 |吸入有害.
  H312 |皮肤接触有害.
• 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,Xn
• 风险等级Irritant
• 安全声明26-36-24/25-37/39
• 危险类别码36/37/38-36-37/38-22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 18982-54-2 = 88-65-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Galactose Oxidase,Xanthine Dehydrogenase Solvents: Acetonitrile,Water; 16 H,Ph 7.6,37 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Catalytic Bio-Chemo And Bio-Bio Tandem Oxidation Reactions For Amide And Carboxylic Acid Synthesis
  作者:Bechi,Beatrice; Herter,Susanne; Mckenna,Shane; Riley,Christopher; Leimkuhler,Silke; Et Al
  参考文献:Green Chemistry 日期:2014 卷标:16(10) 页码:4524-4529]
  
  6630-33-7 = 88-65-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Betaine Chloride Solvents: Water; 4 H,100 °C
  标题:An Efficient And Chemical Oxidants-Free Protocol Of Synthesizing Carboxylic Acids From Aldehydes Catalyzed By The Betaine-Fatty Acids Ionic Liquid Derived From Vegetable Oil
  作者:Nordin,Nurhamizah; Ismail,Mohd Hafiz; Ramlee,Muhammad Zulhilmi; A. Jalil,Mohd Azlien; Yong,Fu-Siong Julius; Et Al
  参考文献:Catalysis Today 日期:2023 卷标:424]
  
  23975-63-5 = 88-65-3
  反应条件:1.1 Reagents: Sodium Bicarbonate,Oxygen Catalysts: Tris(2,2′-Bipyridyl)Ruthenium(Ii) Chloride Solvents: Acetonitrile; 4 H1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:[ru(Bpy)3]Cl2-Catalyzed Aerobic Oxidative Cleavage β-Diketones To Carboxylic Acids Under Visible Light Irradiation
  作者:Wang,Xiao-Yan; Shang,Zhen-Peng; Zha,Gao-Feng; Chen,Xiao-Qing; Bukhari,Syed Nasir Abbas; Et Al
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(50) 页码:5628-5631]
  
  18982-54-2 = 88-65-3
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Tetrabutylphosphonium Bromide Solvents: Chlorobenzene,Water; 3.5 H,80 °C
  标题:Tbhp/n-Bu4Pbr-Promoted Oxidative Cross-Dehydrogenative Coupling Of Aryl Methanols: A Facile Synthesis Of Symmetrical Carboxylic Anhydride Derivatives
  作者:Adib,Mehdi; Pashazadeh,Rahim
  参考文献:Synlett 日期:2018 卷标:29(1) 页码:136-140]
  
  18982-54-2 = 88-65-3
  反应条件:1.1 Reagents: Sodium Bromate,Sodium Bisulfate Monohydrate Solvents: Acetonitrile; 20 Min,Reflux
  标题:Nabro3/nahso4.H2O As A Versatile Reagent System For The Oxidation Of Benzylic Alcohols And Aldehydes
  作者:Shirini,Farhad; Ali Zolfigol,Mohammad; Torabi,Shayesteh
  参考文献:Synthetic Communications 日期:2006 卷标:36(19) 页码:2833-2840]
  
  6630-33-7 = 88-65-3
  反应条件:1.1 Reagents: Oxygen Solvents: Acetone; 9 H,Rt
  标题:Catalyst- And Additive-Free Sunlight-Induced Autoxidation Of Aldehydes To Carboxylic Acids
  作者:Shi,Hongwei; Li,Jun; Wang,Tao; Rudolph,Matthias; Hashmi,A. Stephen K.
  参考文献:Green Chemistry 日期:2022 卷标:24(15) 页码:5835-5841]
  
  343864-79-9 = 88-65-3
  反应条件:1.1 Catalysts: Iodine Solvents: Dimethyl Sulfoxide; 5 Min,180 °C
  标题:Dmso/i2 Mediated C-C Bond Cleavage Of α-Ketoaldehydes Followed By C-O Bond Formation: A Metal-Free Approach For One-Pot Esterification
  作者:Venkateswarlu,Vunnam; Aravinda Kumar,K. A.; Gupta,Sorav; Singh,Deepika; Vishwakarma,Ram A.; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(29) 页码:7973-7978]
  
  15795-61-6 = 88-65-3
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Water; > 16 H,Reflux
  标题:A Transition Metal Free Expedient Approach For The C=c Bond Cleavage Of Arylidene Meldrum'S Acid And Malononitrile Derivatives
  作者:Suresh,Muthiah; Kumari,Anusueya; Singh,Raj Bahadur
  参考文献:Tetrahedron 日期:2019 卷标:75(41)]
  
  610-94-6 = 88-65-3
  反应条件:1.1 Reagents: Aluminum,Iodine Solvents: Acetonitrile; 18 H,80 °C; 80 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Cleavage Of Carboxylic Esters By Aluminum And Iodine
  作者:Sang,Dayong; Yue,Huaxin; Fu,Yang; Tian,Juan
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(5) 页码:4254-4261]
  
  6630-33-7 = 88-65-3
  反应条件:1.1 Reagents: Methanesulfinic Acid,1,1,1-Trifluoro-,Sodium Salt (1:1),Oxygen Solvents: Acetonitrile; 12 H,1 Atm,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 121.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Light And Oxygen-Enabled Sodium Trifluoromethanesulfinate-Mediated Selective Oxidation Of C-H Bonds
  作者:Zhu,Xianjin; Liu,Yong; Liu,Can; Yang,Haijun; Fu,Hua
  参考文献:Green Chemistry 日期:2020 卷标:22(13) 页码:4357-4363]
  
  2039-88-5 = 88-65-3
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Ferric Chloride Hexahydrate Solvents: Water; 1 H,Rt1.2 Reagents: Sodium Hydroxide; 10 H,80 °C
  标题:Iron-Catalyzed Oxidative Cleavage Of Olefins And Alkynes To Carboxylic Acids With Aqueous Tert-Butyl Hydroperoxide
  作者:Shaikh,Tanveer Mahamadali; Hong,Fung-E.
  参考文献:Advanced Synthesis & Catalysis 日期:2011 卷标:353(9) 页码:1491-1496]
  
  174575-90-7 = 88-65-3
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Potassium Tert-Butoxide Solvents: Water; Rt; 8 H,80 °C; 80 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Efficient Method For The Oxidation Of Aldehydes And Diols With Tert-Butyl Hydroperoxide Under Transition Metal-Free Conditions
  作者:Shaikh,Tanveer Mahammadali; Hong,Fung-E.
  参考文献:Tetrahedron 日期:2013 卷标:69(42) 页码:8929-8935]
  
  18982-54-2 = 88-65-3
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Sodium Bisulfate,Tungstate,2996897-65-3 Solvents: Water; 7 H,110 °C
  标题:Highly Efficient And Selective Oxidation Of Benzyl Alcohol By Wo42- Catalyst Immobilized By A Phosphonium-Containing Porous Aromatic Framework
  作者:You,Bingxin; Cheng,Zeliang; Tian,Yuyang; Wang,Shaolei; Wang,Baolin
  参考文献:Catalysts 日期:2023 卷标:13(9)]
  
  = 88-65-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 9 H,100 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Dithioester-Enabled Chemodivergent Synthesis Of Acids,Amides And Isothiazoles Via C-C Bond Cleavage And C-O/c-N/c-S Bond Formations Under Metal- And Catalyst-Free Conditions
  作者:Soni,Sonam; Koley,Suvajit; Singh,Maya Shankar
  参考文献:Tetrahedron Letters 日期:2017 卷标:58(25) 页码:2512-2516]
  
  18982-54-2 = 88-65-3
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Cupric Chloride,1H-Imidazolium,1-Methyl-3-[3-[[2-(1-Methyl-1H-Imidazolium-3-Yl)Ethyl]Amino]-3-O... Solvents: Water; 25 °C; 48 Min,25 °C
  标题:A Novel Cucl2/bil Catalyst For Direct Oxidation Of Alcohol To Acid At Ambient Temperature
  作者:Karthikeyan,Parasuraman; Aswar,Sachin Arunrao; Muskawar,Prashant Narayan; Bhagat,Pundlik Rambhau; Kumar,S. Senthil
  参考文献:Catalysis Communications 日期:2012 卷标:26 页码:189-193]
  
  18982-54-2 = 88-65-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Methanesulfinic Acid,1,1,1-Trifluoro-,Sodium Salt (1:1) Solvents: Acetonitrile; 12 H,1 Atm,25 °C
  标题:A Sodium Trifluoromethanesulfinate-Mediated Photocatalytic Strategy For Aerobic Oxidation Of Alcohols
  作者:Zhu,Xianjin; Liu,Can; Liu,Yong; Yang,Haijun; Fu,Hua
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(82) 页码:12443-12446]
  
  = 88-65-3
  反应条件:1.1 Reagents: Cobalt Diacetate,Hydrogen Bromide Solvents: Acetic Acid
  标题:Autoxidation Reactions Catalyzed By Cobalt Acetate Bromide
  作者:Hay,Allan S.; Blanchard,Harry S.
  参考文献:Canadian Journal Of Chemistry 日期:1965 卷标:43(5) 页码:1306-17]
  
  = 88-65-3
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Iron Oxide (Fe3O4),Vanadyl Solvents: Water; 14 H,Rt
  标题:Catalytic C-H Aerobic And Oxidant-Induced Oxidation Of Alkylbenzenes (Including Toluene Derivatives) Over Vo2+ Immobilized On Core-Shell Fe3O4@sio2 At Room Temperature In Water
  作者:Mohammadpour,Pegah; Safaei,Elham
  参考文献:Rsc Advances 日期:2020 卷标:10(40) 页码:23543-23553]
  
  = 88-65-3
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Oxygen Catalysts: 1,1′-Binaphthyl (Pt Nanoparticle-Bound) Solvents: Water; 30 H,80 °C
  标题:Selective Oxidation Of Alkylarenes To Aromatic Acids/ketone In Water By Using Reusable Binaphthyl Stabilized Pt Nanoparticles (Pt-Bnp) As Catalyst
  作者:Saha,Rajib; Sekar,Govindasamy
  参考文献:Applied Catalysis 日期:2019 卷标:250 页码:325-336

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
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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
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• ➥ REACH监管