CAS: 89-55-4; 5-Bromo-2-Hydroxybenzoic Acid

• 英文名称5-Bromo-2-Hydroxybenzoic Acid
• 中文名称5-溴水杨酸
• IUPAC名称5-bromo-2-hydroxybenzoic acid
• 其它别名5-Bromo-2-hydroxy-benzoic acid
• CAS编号89-55-4
• MFCD编号:MFCD00002455
• EINECS号:201-917-0
• FDA UNII编号:6907950MYK
• 分子式:C7H5BrO3
• 分子量:217.02
• 产品CID: 1917308
• 产品分类化学试剂 → 有机试剂 → 芳香酸

• 相似结构搜索
• InChIKey: IEJOONSLOGAXNO-UHFFFAOYSA-N
• InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)…
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数1.0

物理性质

• 熔点162-166 °C
• 沸点338.1±32.0 °C at 760 mmHg
• 闪点158.3±25.1 °C
• 密度1.9±0.1 g/cm3
• pKa:pK1:2.61 (25°C)
• PSA:57.53
• LogP:3.11
• 折射率1.655
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Soluble
• 外观形态白色至微米色粉末
• 储存条件惰性气氛,室温
• 产品应用该化合物用于BHONOKIOL(一种双苯型新尼氏剂)合成的起始试剂.
• 性质描述该品为白色结晶粉末.

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
• 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P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明37/39-26-36
• 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-Bromosalicylic Acid 主要起始原料 Salicylic Acid
• 69-72-7 = 89-55-4
  反应条件:1.1 Reagents: 1-Propanaminium,N,N,N-Tripropyl-,(Nonabromide) (1:1) Solvents: Dichloromethane; 30 Min,0 °C -> 23 °C1.2 Reagents: Sodium Thiosulfate Solvents: Water
  标题:Brominations With Pr4Nbr9 As A Solid Reagent With High Reactivity And Selectivity
  作者:Beck,Thorsten M.; Haller,Heike; Streuff,Jan; Riedel,Sebastian
  参考文献:Synthesis 日期:2014 卷标:46(6) 页码:740-747]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Pyridinium,1-Butyl-3-Methyl-,(Tribromide) (1:1); 60 Min,Rt1.2 Solvents: Water
  标题:An Efficient,Rapid,And Regioselective Bromination Of Anilines And Phenols With 1-Butyl-3-Methylpyridinium Tribromide As A New Reagent/solvent Under Mild Conditions
  作者:Borikar,Sanjay P.; Daniel,Thomas; Paul,Vincent
  参考文献:Tetrahedron Letters 日期:2009 卷标:50(9) 页码:1007-1009]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Potassium Bromide,Phosphonium,Triphenyl(Phenylmethyl)-,Peroxymonosulfate (1:1) Solvents: Acetonitrile; 5 H,Rt
  标题:A Convenient And Regioselective Oxidative Bromination Of Electron-Rich Aromatic Rings Using Potassium Bromide And Benzyltriphenylphosphonium Peroxymonosulfate Under Nearly Neutral Reaction Conditions
  作者:Adibi,Hadi; Hajipour,Abdol R.; Hashemi,Majid
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(7) 页码:1255-1259]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Bromine,1346222-93-2 Solvents: Acetonitrile; 0.4 H,Rt
  标题:A Simple And Improved Regioselective Brominations Of Aromatic Compounds Using O-Xylylenebis(Triphenylphosphonium)Peroxodisulfate
  作者:Forouzani,Mehdi; Tajbakhsh,Mahmood; Ramzanian-Lehmali,Farhad; Kamel,Yaser; Ghasemnejad-Bosra,Hassan
  参考文献:Organic Chemistry: An Indian Journal 日期:2011 卷标:7(5) 页码:305-311]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Mercuric Acetate,N-Bromophthalimide Solvents: Acetic Acid; 9 - 12 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Synthesis,Kinetics,And Mechanism Of Bromophenols By N-Bromophthalimide In Aqueous Acetic Acid
  作者:Anjaiah,Birla; Prameela,Kethavath; Srinivas,Pabba; Rajanna,Kamatala Chinna
  参考文献:International Journal Of Chemical Kinetics 日期:2018 卷标:50(11) 页码:804-812]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Acetic Acid,Sodium Bromide,Hydrogen Peroxide Catalysts: Sodium Tungsten Oxide (Na2Wo4) Solvents: Ethanol,Water; 18 H,30 °C
  标题:Tungstate-Catalyzed Biomimetic Oxidative Halogenation Of (Hetero)Arene Under Mild Condition
  作者:Ma,Zhuang; Lu,Helin; Liao,Ke; Chen,Zhilong
  参考文献:Iscience 日期:2020 卷标:23(5)]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Potassium Bromide,Phosphonium,Triphenyl(Phenylmethyl)-,Salt With Peroxydisulfuric Acid ([(Ho)S(O... Solvents: Acetonitrile; 6.5 H,Rt
  标题:Bromination Of Some Aromatic Compounds With Potassium Bromide In The Presence Of Benzyltriphenylphosphonium Peroxodisulfate
  作者:Tajik,Hassan; Mohammadpoor-Baltork,Iraj; Albadi,Jalal
  参考文献:Synthetic Communications 日期:2007 卷标:37(2) 页码:323-328]
  
  585-76-2 = 89-55-4
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Quinone,Potassium Acetate Catalysts: N-Acetyl-L-Isoleucine,Palladium Diacetate Solvents: 1,2-Dimethoxyethane,Water; 100 °C
  标题:Palladium-Catalyzed Ortho-C-H Hydroxylation Of Benzoic Acids
  作者:Luo,Feihua; He,Shuhua; Gou,Quan; Chen,Jinyang; Zhang,Mingzhong
  参考文献:Tetrahedron Letters 日期:2021 卷标:84]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Bromine
  标题:Improved Preparation Of Gentisic Acid
  作者:Lowenthal,Julius; Pepper,J. M.
  参考文献:Journal Of The American Chemical Society 日期:1950 卷标:72 页码:3292-3]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: 1H-Imidazolium,1-Butyl-3-Methyl-,(Tribromide) (1:1); 4 H,25 °C
  标题:(Bmim)Br3 As A New Reagent For Regioselective Monobromination Of Phenols And Several Activated Aromatics Under Solvent-Free Conditions
  作者:Le,Zhang-Gao; Chen,Zhen-Chu; Hu,Yi
  参考文献:Chinese Journal Of Chemistry 日期:2005 卷标:23(11) 页码:1537-1540]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Diethyl Ether,Acetonitrile
  标题:A New Bromination Method For Phenols And Anisoles: Nbs/hbf4.Et2O In Ch3Cn
  作者:Oberhauser,Thomas
  参考文献:Journal Of Organic Chemistry 日期:1997 卷标:62(13) 页码:4504-4506]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Potassium Bromide,1416508-03-6 Solvents: Acetonitrile; 35 Min,Reflux
  标题:An Efficient Regioselective Bromination Of Activated Aromatic Compounds Using 1,4-Bis(Triphenylphosphonium)Butane Peroxodisulfate
  作者:Forouzani,Mehdi; Ghasemnejad-Bosra,Hassan; Khajavi,Mahboobeh; Tajbakhsh,Mahmood
  参考文献:Organic Chemistry: An Indian Journal 日期:2012 卷标:8(12) 页码:483-488]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: N-Bromosuccinimide Catalysts: N-Methoxy-1-Butanesulfonamide Solvents: Heptane; 6 H,25 °C1.2 Reagents: Sodium Sulfite Solvents: Water; 25 °C
  标题:Cooperativity Within The Catalyst: Alkoxyamide As A Catalyst For Bromocyclization And Bromination Of (Hetero)Aromatics
  作者:Mondal,Haripriyo; Sk,Raja Md; Maji,Modhu Sudan
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(77) 页码:11501-11504]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Hydrochloric Acid,Sodium Bromide,Sodium Hypochlorite Solvents: Water; 3 H,40 - 50 °C
  标题:An Elegant And Cost-Effective Method Of Aromatic Bromination Using Sodium Bromide And Household Bleach
  作者:Halder,Jayati
  参考文献:Rasayan Journal Of Chemistry 日期:2012 卷标:5(2) 页码:183-185]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Bis(Trifluoroacetoxy)Iodobenzene,Bromotrimethylsilane Solvents: Dichloromethane; Overnight,Rt
  标题:Stepwise Mechanism For The Bromination Of Arenes By A Hypervalent Iodine Reagent
  作者:Granados,Albert; Shafir,Alexandr; Arrieta,Ana; Cossio,Fernando P.; Vallribera,Adelina
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(4) 页码:2142-2150]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Sulfuric Acid,Bromine Solvents: Acetic Acid
  标题:Cxxiv. - The Bromination Of Phenols
  作者:Hewitt,John Theodore; Silk,Harry
  参考文献:Journal Of The Chemical Society 日期:1904 卷标:85 页码:1225-1230]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Potassium Bromide,Benzenemethanaminium,N,N-Dimethyl-N-Phenyl-,Salt With Peroxydisulfuric Acid ([... Solvents: Acetonitrile; 6 H,Reflux
  标题:Simple And Improved Regioselective Brominations Of Aromatic Compounds Using N-Benzyl-N,N-Dimethylanilinium Peroxodisulfate In The Presence Of Potassium Bromide Under Mild Reactions Conditions
  作者:Ghasemnejad-Bosra,Hassan; Ramzanian-Lehmali,Farhad; Jafari,Somaye
  参考文献:Journal Of The Serbian Chemical Society 日期:2011 卷标:76(5) 页码:685-692]
  
  21740-00-1 = 89-55-4
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Copper Oxide (Cu2O),L-Chiro-Inositol,1-O-Methyl- Solvents: Water; 6 H,100 °C; 100 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Copper And L-(-)-Quebrachitol Catalyzed Hydroxylation And Amination Of Aryl Halides Under Air
  作者:Liang,Xinjie; Li,Hui; Du,Fangyu; Zhang,Yongsheng; Dong,Jinhua; Et Al
  参考文献:Tetrahedron Letters 日期:2020 卷标:61(33)]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Bis(Trifluoroacetoxy)Iodobenzene,Bromotrimethylsilane Solvents: Chloroform-D; 10 Min,Rt
  标题:On The Potential Intermediacy Of Phibr2 As A Brominating Agent
  作者:Tania; Molino,Andrew; Sharp-Bucknall,Lachlan; Wilson,David J. D.; Dutton,Jason L.
  参考文献:Organic & Biomolecular Chemistry 日期:2022 卷标:20(43) 页码:8454-8460]
  
  69-72-7 = 89-55-4
  反应条件:1.1 Reagents: Potassium Bisulfate,Potassium Bromide Catalysts: Chromate(1-),Chlorotrioxo-,(T-4)-,Hydrogen,Compd. With Isoquinoline (1:1:1) Solvents: 1,2-Dichloroethane,Water; 30 - 40 Min,Rt
  标题:Isoquinolinium Dichromate And Chlorochromate As Efficient Catalysts For Oxidative Halogenation Of Aromatic Compounds Under Acid-Free Conditions
  作者:Rao,A. Sambashiva; Rajanna,K. C.; Reddy,K. Rajendar; Kulkarni,Subhash
  参考文献:Synthesis And Reactivity In Inorganic 日期:2016 卷标:46(6) 页码:832-837

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