CAS: 85-52-9; 2-Benzoylbenzoic Acid

• 英文名称2-Benzoylbenzoic Acid
• 中文名称邻苯甲酰苯甲酸
• IUPAC名称2-benzoylbenzoic acid
• 其它别名Benzoicacid, o-benzoyl- (8CI); 2-Benzoquinonecarboxylic acid; 2-Benzoylbenzoic acid; 2-Carboxybenzophenone; Benzophenone-2-carbonic acid; Benzophenone-2-carboxylicacid; Ortho-benzoylbenzoic acid; SKP 10A; SKP 10AT; o-Benzoylbenzoicacid; o-Carboxybenzophenone
• CAS编号85-52-9
• MFCD编号:MFCD00002472
• EINECS号:201-612-2
• 分子式:C14H10O3
• 分子量:226.23
• 产品CID: 1851946
• 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: FGTYTUFKXYPTML-UHFFFAOYSA-N
• InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点126-129 °C
• 沸点257-265 °C at 760 mmHg
• 闪点231.9±20.5 °C
• 密度1.3±0.1 g/cm3
• pKa:pK1: 3.54 (25°C)
• PSA:54.37
• LogP:2.6158
• 折射率1.617
• 蒸汽压0.0±1.1 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 敏感性从水中析出的含1分子水的针状结晶，熔点95°C。有毒，对皮肤和粘膜有刺激性。
• 外观形态几乎白色至微米色结晶粉末
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于合成BZATP三乙基氨酸盐,它是一种选择性的P2X纯基吸附剂.在同二甲醚P2X7受体上,它比ATP更有威力.

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
  急性毒性 类别4(经口)
  皮肤致敏 类别1B
  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.
  H302 |吞咽有害.
  H317 |可能引起皮肤过敏反应.
• 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26-36-37/39
• 危险类别码36/37/38
• WGK Germany2

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 2-Benzoylbenzoic Acid 主要起始原料 2-Bromobenzoic Acid
• 606-28-0 = 85-52-9
  反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Methanol,Water; 8 H,75 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Construction Of Cyclopenta[b]Naphthalenol Frameworks By Weinreb Amide-Directed Umpolung Ring Opening Of Methylenecyclopropanes
  作者:Wei,Hao-Zhao; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2022 卷标:364(22) 页码:3948-3953]
  
  606-28-0 = 85-52-9
  反应条件:1.1 Solvents: 1,4-Dioxane,Water
  标题:Neighboring Group Participation By A Carbonyl Group In The Hydrolysis Of Methyl Benzil-2-Carboxylates
  作者:Bowden,Keith; Et Al
  参考文献:Journal Of The Chemical Society 日期:1992 卷标:(1) 页码:5-6]
  
  = 85-52-9
  反应条件:1.1 Reagents: Aluminum Chloride
  标题:Friedel And Craft' Reaction-The Preparation Of E-Benzoylbenzoic Acid And Benzophenone
  作者:Rubidge,C. R.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1914 卷标:36 页码:732-7]
  
  60231-26-7 = 85-52-9
  反应条件:1.1 Reagents: Chromium Trioxide
  标题:Thermal Transformations Of Acenic Meso-Photooxides. I. Photooxides Of 9-Phenyl- And 9-Methylanthracene
  作者:Rigaudy,Jean; Et Al
  参考文献:Bulletin De La Societe Chimique De France 日期:1976 卷标:493 页码:493-500]
  
  = 85-52-9 [标题:Reaction Conditions
  标题:Reductive Cyclization Of Keto Acids To Polycyclic Aromatic Hydrocarbons By Hydroiodic Acid-Red Phosphorus
  作者:Platt,Karl L.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1981 卷标:46(12) 页码:2601-3]
  
  57901-57-2 + 98-88-4 = 85-52-9
  反应条件:1.1 Solvents: Tetrahydrofuran
  标题:O-Benzoylbenzoic Acids By The Reaction Of Lithium 2-Lithiobenzoates With Acid Chlorides. A Contribution To The Chemistry Of Alizarin And Podophyllotoxin
  作者:Parham,William E.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1981 卷标:46(6) 页码:1057-61]
  
  33238-44-7 = 85-52-9 [标题:Reaction Conditions
  标题:Acid Azides. Iv. Acid Catalyzed Double Route Decomposition Of Acid Azides In Polyphosphoric/carboxylic Acid Mixture
  作者:Fahmy,A. F. M.; Et Al
  参考文献:Egyptian Journal Of Chemistry 日期:1979 卷标:19(6) 页码:937-44]
  
  50906-29-1 = 85-52-9
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Benzene
  标题:Acid Azides: Part V - Lewis Acid- And Base-Catalyzed Decompositions Of Azides
  作者:Fahmy,A. F.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:1977 卷标:(3) 页码:252-4]
  
  66464-21-9 + 98-88-4 = 85-52-9 [标题:Reaction Conditions
  标题:O-Benzoylbenzoic Acid Synthesis By Condensation Of O-Lithioaryloxazolines With Acid Chlorides. Preparation Of A Potential Intermediate For Anthracycline Synthesis
  作者:Edgar,Kevin J.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1982 卷标:47(8) 页码:1585-7]
  
  591-51-5 = 85-52-9 [标题:Reaction Conditions
  标题:Preparation Of Aroylbenzoic Acid. Reaction Of Aryllithium Reagents With Phthalic Anhydride
  作者:Parham,William E.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1976 卷标:41(7) 页码:1268-9]
  
  = 85-52-9
  反应条件:1.1 Reagents: Aluminum Chloride; Heated; 3 H,Reflux; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; 0 °C
  标题:Design,Characterization,Computational Studies,And Pharmacological Evaluation Of Substituted-N'-[(1E) Substituted-Phenylmethylidene]Benzohydrazide Analogs
  作者:Bala,Suman; Et Al
  参考文献:Medicinal Chemistry Research 日期:2013 卷标:22(6) 页码:2755-2767]
  
  = 85-52-9
  反应条件:1.1 Catalysts: 1-Butyl-3-Methylimidazolium Tetrachloroaluminate; 4 H,50 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:An Alternative Route To Syntheses Of Aryl Keto Acids In A Chloroaluminate Ionic Liquid
  作者:Mohile,Swapnil S.; Et Al
  参考文献:Journal Of Chemical Research 日期:2003 卷标:(10) 页码:650-651]
  
  612-35-1 = 85-52-9
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Sodium Carbonate,Cobalt,Dichloro[4′-(4-Pyridinyl)-2,2′:6′,2′′-Terpyridine-Kn1,Kn1′,Kn1′′]-,Hydr... Solvents: Water; 7 H,70 °C
  标题:Benzylic Oxidation Catalyzed By Cobalt (Ii)-Terpyridine Coordination Polymers
  作者:Liu,Jianqi; Et Al
  参考文献:Youji Huaxue 日期:2021 卷标:41(11) 页码:4409-4414]
  
  6319-77-3 = 85-52-9 [标题:Reaction Conditions
  标题:Condensations Involving The Metalation Of The 3-Position Of 3-Phenylphthalide By Means Of Alkali Amides. Carbonation Of Phthalide
  作者:Hauser,Charles R.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1958 卷标:23 页码:861-5]
  
  2446-51-7 + 100-52-7 = 85-52-9
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Boron Trifluoride Etherate Catalysts: Palladium Diacetate Solvents: Dimethyl Sulfoxide,1,4-Dioxane; 5 H,130 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 6 H,100 °C
  标题:Synthesis Of Biaryl Imino/keto Carboxylic Acids Via Aryl Amide Directed C-H Activation Reaction
  作者:Zhang,Nana; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2013 卷标:49(82) 页码:9464-9466]
  
  19298-29-4 = 85-52-9
  反应条件:1.1 Reagents: Potassium Dichromate
  标题:Reduction Of 1-Oxo-4-Aryl-2,3-Benzoxazines By Complex Metal Hydrides
  作者:Pavlova,L. A.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1979 卷标:15(11) 页码:2405-7]
  
  100-52-7 = 85-52-9
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Boron Trifluoride Etherate Catalysts: Palladium Diacetate Solvents: Dimethyl Sulfoxide,1,4-Dioxane; 5 H,130 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 6 H,100 °C
  标题:Synthesis Of Biaryl Imino/keto Carboxylic Acids Via Aryl Amide Directed C-H Activation Reaction
  作者:Zhang,Nana; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2013 卷标:49(82) 页码:9464-9466]
  
  98-80-6 + 528-46-1 = 85-52-9
  反应条件:1.1 Catalysts: Silver Carbonate Solvents: Acetonitrile; 60 Min,60 °C
  标题:Silver-Catalyzed Decarboxylative Acylation Of Arylglyoxylic Acids With Arylboronic Acids
  作者:Cheng,Kai; Et Al
  参考文献:Rsc Advances 日期:2014 卷标:4(89) 页码:48698-48702]
  
  = 85-52-9
  反应条件:1.1 Solvents: Tetrahydrofuran; 0 °C; 3 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Visible Light-Mediated Hydrogen Atom Transfer And Proton Transfer For The Conversion Of (2-Vinylaryl)Methanol Derivatives To Aryl Aldehydes Or Aryl Ketones
  作者:Yan,Jun; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2023 卷标:10(23) 页码:5876-5885]
  
  = 85-52-9
  反应条件:1.1 Catalysts: Copper Bromide (Cubr) Solvents: Diethyl Ether,Tetrahydrofuran; Rt -> -20 °C; -20 °C; -20 °C -> Rt1.2 Reagents: Water; Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 12 - 14,Rt1.4 Reagents: Hydrochloric Acid Solvents: Water
  标题:Metal- And Oxidant-Free Electrosynthesis Of Heterocycles From 1,2-Diarylalkene Derivatives
  作者:Yu,Eunsoo; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2022 卷标:364(23) 页码:4088-4096]
  
  841-76-9 = 85-52-9 [标题:Reaction Conditions
  标题:Alkylaluminum Compounds. Xxviii. The Behavior Of Anhydrides And Esters Toward Triphenylaluminum
  作者:Alberola,A.; Et Al
  参考文献:Anales De Quimica 日期:1982 卷标:78(2) 页码:159-65]
  
  131-58-8 = 85-52-9 [标题:Reaction Conditions
  标题:Photoenolization. Xi. Photooxidation Of O-Methylbenzophenones
  作者:Pfau,Michel; Et Al
  参考文献:Bulletin De La Societe Chimique De France 日期:1983 卷标:164 页码:164-9]
  
  591-51-5 = 85-52-9 [标题:Reaction Conditions
  标题:Phthalic Anhydride
  作者:Santhanam,Balaji; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  19571-30-3 = 85-52-9
  反应条件:1.1 Reagents: Sodium Carbonate,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Water
  标题:Synthesis Of Isoquinoline Derivatives. Ii
  作者:Krabbe,Walter; Et Al
  参考文献:Berichte Der Deutschen Chemischen Gesellschaft [abteilung] B: Abhandlungen 日期:1938 卷标:71 页码:64-76]
  
  100-66-3 = 85-52-9
  反应条件:1.1 Catalysts: Aluminum Chloride Solvents: Dichloromethane
  标题:Glycosyl O-[1-(P-Meo-Phenyl)Vinyl]Benzoates (Pmpvb) As Easily Accessible,Stable,And Reactive Glycosyl Donors For O-,S-,And C-Glycosylation Under Bronsted Acid Catalysis
  作者:Halder,Suvendu; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(11) 页码:7033-7055

海关参考信息

• 2905110000-甲醇
  2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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