CAS: 93-97-0; Benzoic Anhydride

• 英文名称Benzoic Anhydride
• 中文名称苯甲酸酐
• IUPAC名称benzoic anhydride
• CAS编号93-97-0
• MFCD编号:MFCD00003073
• EINECS号:202-291-1
• FDA UNII编号:9K7X34FOV2
• 分子式:C14H10O3
• 分子量:226.23
• 产品CID: 1983980
• 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: CHIHQLCVLOXUJW-UHFFFAOYSA-N
• InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点38-44°C
• 沸点360°C at 760 mmHg
• 闪点168.4°C
• 密度1.2±0.1 g/cm3
• PSA:43.37
• LogP:2.6838
• 折射率1.590
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性0.01G/l (Experimental)
• 敏感性易受潮
• 外观形态白色至几乎白色晶体或结晶粉末
• 储存条件惰性气氛,2-8°C
• 产品应用有机合成中间体.用于制药;染料;防腐剂;苯酰化剂;软化剂.也可用于水分析.
• 性质描述白色棱形结晶,熔点43°C,沸点360°C,218°C(2.67kPa),180°C(0.67kPa),相对密度1.1989(15/4°C),折光率1.5767(15°C).溶于醇,醚;氯仿;丙醇;冰醛酸;苯;几乎不溶于水.对水和冷碱稳定,能被沸腾的碱金属碳酸盐和苛性碱水解.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼损伤 类别1
  特定目标器官毒性-重复接触 类别1
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H318 |造成严重眼损伤.
  H372 |长期或反复接触损害器官.
• 防范说明P260-P264-P270-P273-P280-P302+P352-P362+P364-P501
• 危险等级8
• UN编号1759.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明26-39-37/39
• 危险类别码37/38-41-36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 92-71-7 = 93-97-0
  反应条件:1.1 Reagents: Oxygen,Ozone Solvents: Dichloromethane
  标题:Convenient Synthesis Of Mixed Anhydrides By The Ozonolysis Of Oxazoles
  作者:Kashima,Choji; Hibi,Shigeki; Harada,Kazuo; Omote,Yoshimori
  参考文献:Journal Of The Chemical Society 日期:1988 卷标:(3) 页码:529-33]
  
  98-88-4 = 93-97-0 [标题:Reaction Conditions
  标题:Usefulness Of Various Solvents For The Catalytic Aldehyde Synthesis From Acid Chlorides
  作者:Zetzsche,Fritz; Enderlin,Florian; Flutsch,Christian; Menzi,Ernest
  参考文献:Helvetica Chimica Acta 日期:1926 卷标:9 页码:177-81]
  
  100-52-7 = 93-97-0
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Potassate(1-),Aqua(Nitrato-Ko,Ko′)Bis[(2-Pyridinecarboxylato-Kn1,Ko2)Cuprate]Bi... Solvents: Acetonitrile; 20 Min,80 °C
  标题:Catalytic C-H Bond Activation And Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks
  作者:Pandey,Rampal; Singh,Durgesh; Thakur,Neha; Raj,Krishna K.
  参考文献:Acs Omega 日期:2021 卷标:6(20) 页码:13240-13259]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Triethylamine,Triphenylphosphine,Iodine Solvents: Dichloromethane; 0 °C -> 25 °C; 5 Min,25 °C
  标题:Acid Anhydrides And The Unexpected N,N-Diethylamides Derived From The Reaction Of Carboxylic Acids With Ph3P/i2/et3N
  作者:Phakhodee,Wong; Duangkamol,Chuthamat; Wangngae,Sirilak; Pattarawarapan,Mookda
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(3) 页码:325-328]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: 2,6-Lutidine,Carbon Tetrabromide Catalysts: Tris(2,2′-Bipyridyl)Ruthenium(Ii) Chloride Solvents: Dimethylformamide; 12 H,25 - 30 °C
  标题:Synthesis Of Symmetric Anhydrides Using Visible Light-Mediated Photoredox Catalysis
  作者:Konieczynska,Marlena D.; Dai,Chunhui; Stephenson,Corey R. J.
  参考文献:Organic & Biomolecular Chemistry 日期:2012 卷标:10(23) 页码:4509-4511]
  
  65-85-0 + 100-52-7 = 93-97-0
  反应条件:1.1 Catalysts: Trichloroisocyanuric Acid Solvents: Dichloromethane; 1 - 2 Min,Rt; Rt -> 0 °C1.2 0 °C1.3 Reagents: Triethylamine; 0 °C; Rt
  标题:Anhydrides From Aldehydes Or Alcohols Via Oxidative Cross-Coupling
  作者:Gaspa,Silvia; Amura,Ida; Porcheddu,Andrea; De Luca,Lidia
  参考文献:New Journal Of Chemistry 日期:2017 卷标:41(3) 页码:931-939]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Triphenylphosphine,Iodine Solvents: Dichloromethane; 5 Min,0 °C1.2 Reagents: Triethylamine; 5 Min,0 °C1.3 Reagents: Benzylamine; 0 °C -> Rt; 10 Min,Rt
  标题:Significance Of Reagent Addition Sequence In The Amidation Of Carboxylic Acids Mediated By Pph3 And I2
  作者:Wangngae,Sirilak; Duangkamol,Chuthamat; Pattarawarapan,Mookda; Phakhodee,Wong
  参考文献:Rsc Advances 日期:2015 卷标:5(33) 页码:25789-25793]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Triphosgene Catalysts: Dimethylformamide Solvents: Tetrahydrofuran; 2.5 H,50 °C; 0.5 H,50 °C
  标题:An Efficient Method For Preparation Of Acyl Chlorides And Symmetrical Anhydrides From Carboxylic Acids With Btc/dmf
  作者:Chen,Zhiwei; Jiang,Ling; Su,Weike; Xu,Zhijun
  参考文献:Journal Of The Chemical Society Of Pakistan 日期:2012 卷标:34(4) 页码:1003-1006]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Pyridine,Methanesulfonyl Chloride Solvents: Toluene; 4 H,Rt1.2 Reagents: 1-Butyl-3-Methylimidazolium Hexafluorophosphate,1-(Carboxymethyl)-3-Methylimidazolium Tetrafluoroborate; 30 Min,Rt
  标题:Carboxyl-Functional Ionic Liquids As Scavengers: Case Studies On Benzyl Chloride,Amines,And Methanesulfonyl Chloride
  作者:Cai,Yueqin; Zhang,Ying; Peng,Yanqing; Lu,Feng; Huang,Xinglong; Et Al
  参考文献:Journal Of Combinatorial Chemistry 日期:2006 卷标:8(5) 页码:636-638]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Thionyl Chloride,Pyridine,4-Ethenyl-,Polymer With Diethenylbenzene And 1-Ethenyl-4-Ethylbenzene Solvents: Dichloromethane
  标题:Phase-Managed Organic Synthesis. 3. Symmetrical Anhydrides From Carboxylic Acids Via Polymer-Assisted Reaction
  作者:Fife,Wilmer K.; Zhang,Zhi Dong
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(41) 页码:4937-40]
  
  79-31-2 + 98-88-4 = 93-97-0 + 97-72-3 + 19820-59-8
  反应条件:1.1 Reagents: Divinylbenzene-4-Vinylpyridine Copolymer Solvents: Dichloromethane
  标题:Phase-Managed Organic Synthesis. 2. A New Polymer-Assisted Synthesis Of Acid Anhydrides
  作者:Fife,Wilmer K.; Et Al
  参考文献:Tetrahedron Letters 日期:1986 卷标:27(41) 页码:4933-6]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Di-Tert-Butyl Dicarbonate Catalysts: Magnesium Chloride Solvents: Benzene; 2 H,100 °C
  标题:Direct Access To α,β-Unsaturated Ketones Via Rh/mgcl2-Mediated Acylation Of Vinylsilanes
  作者:Deng,Xue-Zu; Chen,Zi-Yan; Song,Yang; Xue,Fei; Yamane,Motoki; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(18) 页码:12693-12704]
  
  591-50-4 + 499-90-1 = 93-97-0 + 25569-77-1
  反应条件:1.1 Solvents: Toluene; 100 Atm,Rt; 2 H,260 - 270 °C
  标题:Transition Metal Catalyst-Free And Radical Initiator-Free Carbonylation Of Aryl Iodides
  作者:Fukuoka,Shinsuke
  参考文献:Industrial & Engineering Chemistry Research 日期:2016 卷标:55(17) 页码:4830-4835]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Di-Tert-Butyl Dicarbonate Catalysts: Magnesium Chloride Solvents: Tetrahydrofuran; 1.5 H,Rt
  标题:Reaction Of Dicarbonates With Carboxylic Acids Catalyzed By Weak Lewis Acids: General Method For The Synthesis Of Anhydrides And Esters
  作者:Bartoli,Giuseppe; Bosco,Marcella; Carlone,Armando; Dalpozzo,Renato; Marcantoni,Enrico; Et Al
  参考文献:Synthesis 日期:2007 卷标:(22) 页码:3489-3496]
  
  98-88-4 = 93-97-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Benzyltriethylammonium Chloride Solvents: Toluene; 3 H,Reflux
  标题:Reaction Of Chlorides Of Phosphoric,Sulfonic,And Carboxylic Acids On Solid Potassium Carbonate Surface Under Ptc Circumstances
  作者:Jaszay,Zsuzsa M.; Petnehazy,Imre; Toke,Laszlo
  参考文献:Heteroatom Chemistry 日期:2004 卷标:15(6) 页码:447-450]
  
  = 93-97-0 [标题:Reaction Conditions
  标题:Deoxygenation Of Amine N-Oxides Or C-Nitroso Compounds By Dialkyl Sulfoxylates
  作者:Kagami,Hiroaki; Motoki,Shinichi
  参考文献:Journal Of Organic Chemistry 日期:1978 卷标:43(6) 页码:1267-8]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Triethylamine,Triphenylphosphine,Iodine Solvents: Dichloromethane; 0 °C -> Rt; 20 Min,Rt
  标题:Ph3P-I2 Mediated Aryl Esterification With A Mechanistic Insight
  作者:Phakhodee,Wong; Duangkamol,Chuthamat; Pattarawarapan,Mookda
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(19) 页码:2087-2089]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Toluene; Rt -> 70 °C; 1 H,70 °C1.2 Reagents: Pyridine Solvents: Toluene; 0 °C1.3 20 °C; 2 H,Reflux
  标题:Organocatalytic Desymmetrisation Of Fittig'S Lactones: Deuterium As A Reporter Tag For Hidden Racemisation
  作者:Spranitz,Peter; Soregi,Petra; Botlik,Bence Bela; Berta,Mate; Soos,Tibor
  参考文献:Synthesis 日期:2019 卷标:51(5) 页码:1263-1272]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: Di-Tert-Butyl Dicarbonate Catalysts: Magnesium Carbonate Hydroxide Solvents: Tetrahydrofuran; 25 °C; 24 H,25 °C
  标题:Preparation Of Carboxylic Acid Anhydride By Catalytic Reaction Of Dihydrocarbyl Dicarbonate And Carboxylic Acid,And Preparation Of Carboxylic Acid Ester From The Same And Alcohol
  参考文献:World Intellectual Property Organization]
  
  65-85-0 + 98-88-4 = 93-97-0
  反应条件:1.1 Reagents: Dabco; 6 Min,Rt
  标题:An Efficient And Simple Procedure For Preparation Of Esters And Anhydrides From Acid Chlorides In The Presence Of 1,4-Diazabicyclo[2.2.2]Octane (Dabco) Under Solvent-Free Conditions
  作者:Hajipour,A. R.; Mazloumi,Gh.
  参考文献:Synthetic Communications 日期:2002 卷标:32(1) 页码:23-30]
  
  65-85-0 = 93-97-0
  反应条件:1.1 Reagents: 1,1′-Oxalyldi(Imidazole) Solvents: Acetonitrile1.2 Reagents: Methanesulfonic Acid Solvents: Acetonitrile
  标题:A Convenient One-Stage Synthesis Of Carboxylic Acid Anhydrides Using 1,1'-Oxalyldiimidazole
  作者:Kitagawa,Tokujiro; Kuroda,Hiroko; Sasaki,Hideaki
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1987 卷标:35(3) 页码:1262-5

海关参考信息

• 2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
  2915110000-甲酸
• 💡 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