CAS: 824-75-9; 4-Fluorobenzamide

• 英文名称4-Fluorobenzamide
• 中文名称4-氟苯甲酰胺
• IUPAC名称4-fluorobenzamide
• 其它别名Cf2Br2; Bromotrichloro Methane; 3,3-Diethyloxadicarbocyanineiodide; Unii-Yb79F3Xb1G; 4-Fluoro Benzamide
• CAS编号824-75-9
• MFCD编号:MFCD00007992
• EINECS号:212-535-9
• FDA UNII编号:YB79F3XB1G
• 分子式:C7H6FNO
• 分子量:139.13
• 产品CID: 1815456
• 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: VNDHYTGVCGVETQ-UHFFFAOYSA-N
• InChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)…
• 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154-157°C
• 沸点253.1°C at 760 mmHg
• 闪点106.9±22.6 °C
• 密度1.2±0.1 g/cm3
• pKa:15.93±0.50(预测)
• PSA:43.09
• LogP:0.9246
• 折射率1.539
• 蒸汽压0.0±0.5 mmHg at 25°C
• 敏感性常温常压下稳定，避免强氧化剂 接触
• 外观形态白色至浅米色粉末
• 储存条件2-8°C
• 产品应用该化合物用于有机合成的中间体.

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P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• 危险品标志Xi
• 安全声明37/39-26
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

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合成工艺路线路线简述

• 140-75-0 = 824-75-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Manganese Oxide Solvents: 2-Methyl-2-Butanol,Water; 18 H,1.5 Mpa,130 °C
  标题:Aerobic Activation Of C-H Bond In Amines Over A Nanorod Manganese Oxide Catalyst
  作者:Wang,Hai; Et Al
  参考文献:Chemcatchem 日期:2019 卷标:11(1) 页码:401-406]
  
  1194-02-1 = 824-75-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Silver Tetrafluoroborate,Palladium(2+),Dichlorobis[μ-[2,7-Di(2-Pyridinyl-Kn)-1,8-Naphthyridine-Kn1:Kn8]]... Solvents: Tetrahydrofuran,Water; 16 H,50 °C
  标题:Hydrolysis Of Nitrile Catalyzed By A Tripalladium Complex
  作者:Tsai,Zong-Han; Et Al
  参考文献:Polyhedron 日期:2023 卷标:239]
  
  = 824-75-9
  反应条件:1.1 Reagents: Ammonium Carbonate Solvents: Dimethyl Sulfoxide; 6 H,25 °C
  标题:Transamidation For The Synthesis Of Primary Amides At Room Temperature
  作者:Chen,Jiajia; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(9) 页码:3504-3508]
  
  403-33-8 = 824-75-9
  反应条件:1.1 Reagents: Borate(1-),Amidotrihydro-,Sodium,(T-4)- Solvents: Tetrahydrofuran; 5 Min,Rt1.2 Solvents: Water; 15 Min,Rt
  标题:Efficient Synthesis Of Primary And Secondary Amides Via Reacting Esters With Alkali Metal Amidoboranes
  作者:Guo,Yu; Et Al
  参考文献:Nature Communications 日期:2021 卷标:12(1)]
  
  459-23-4 = 824-75-9
  反应条件:1.1 Catalysts: Ruthenium(1+),Chloro[2,2′-(2,6-Pyridinediyl-Kn)Bis[imidazo[1,2-A]Pyridine-Kn1]]... Solvents: Water; 12 H,110 °C
  标题:Highly Efficient Synthesis Of Primary Amides Via Aldoximes Rearrangement In Water Under Air Atmosphere Catalyzed By An Ionic Ruthenium Pincer Complex
  作者:Yang,Fa-Liu; Et Al
  参考文献:Rsc Advances 日期:2016 卷标:6(43) 页码:37093-37098]
  
  459-56-3 = 824-75-9
  反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Cobalt (Carbon Supported) Solvents: Water; 24 H,10 Bar,120 °C
  标题:A "Universal" Catalyst For Aerobic Oxidations To Synthesize (Hetero)Aromatic Aldehydes,Ketones,Esters,Acids,Nitriles,And Amides
  作者:Senthamarai,Thirusangumurugan; Et Al
  参考文献:Chem 日期:2022 卷标:8(2) 页码:508-531]
  
  588-95-4 + 7304-35-0 = 824-75-9
  反应条件:1.1 Catalysts: Stereoisomer Of Di-μ-Chlorodichlorobis[(1,2,3,6,7,8-η)-2,7-Dimethyl-2,6-Octadien... Solvents: Glycerol,Water; 0.5 H,100 - 120 Psi,150 °C
  标题:Catalytic Rearrangement Of Aldoximes To Primary Amides In Environmentally Friendly Media Under Thermal And Microwave Heating: Another Application Of The Bis(Allyl)-Ruthenium(Iv) Dimer [{rucl(μ-Cl)(η3:η3-C10H16)}2]
  作者:Gonzalez-Liste,Pedro J.; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2015 卷标:3(11) 页码:3004-3011]
  
  459-57-4 = 824-75-9
  反应条件:1.1 Reagents: Sodium Bicarbonate,Hydroxyamine Hydrochloride Catalysts: 2761983-03-1 Solvents: Water; 2 H,313 K
  标题:Mechanochemical Synthesis Of Half-Sandwich Iridium/rhodium Complexes With 8-Hydroxyquinoline Derivatives Ligands
  作者:Jia,Wei-Guo; Et Al
  参考文献:Applied Organometallic Chemistry 日期:2022 卷标:36(4)]
  
  459-57-4 = 824-75-9
  反应条件:1.1 Reagents: Hydroxylamine Catalysts: 2925463-30-3 Solvents: Water; 30 Min,60 °C
  标题:Ru-Based Complexes As Heterogeneous Potential Catalysts For The Amidation Of Aldehydes And Nitriles In Neat Water
  作者:Arafa,Wael Abdelgayed Ahmed
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:2020 卷标:93(9) 页码:1056-1064]
  
  459-57-4 = 824-75-9
  反应条件:1.1 Reagents: Sodium Carbonate,Hydroxyamine Hydrochloride Catalysts: Cupric Acetate,N-(2-Aminoethyl)-3-Aminopropyltrimethoxysilane (Sba-15 Functionalized With,Copper Complexes),Silica (N-[3-(Trimethoxysilyl)Propyl]Ethylene-Diamine-Functionalized,Copper C...) Solvents: Water; 2 D,80 °C1.2 Solvents: Dichloromethane
  标题:Efficient And Selective Copper-Grafted Nanoporous Silica In Aqueous Conversion Of Aldehydes To Amides
  作者:Rostamnia,Sadegh; Et Al
  参考文献:Catalysis Science & Technology 日期:2015 卷标:5(1) 页码:199-205]
  
  456-22-4 = 824-75-9
  反应条件:1.1 Reagents: Tripotassium Phosphate,Diphenylphosphoryl Azide Solvents: Dimethylformamide; 24 H,100 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Transition-Metal-Free Decarboxylative Amidation Of Aryl α-Keto Acids With Diphenylphosphoryl Azide: New Avenue For The Preparation Of Primary Aryl Amides
  作者:Xie,Jianwei; Et Al
  参考文献:Youji Huaxue 日期:2020 卷标:40(12) 页码:4284-4289]
  
  403-42-9 = 824-75-9
  反应条件:1.1 Reagents: Iodine,Ammonia Solvents: Water; 1 H,60 °C
  标题:Novel And Direct Transformation Of Methyl Ketones Or Carbinols To Primary Amides By Employing Aqueous Ammonia
  作者:Cao,Liping; Et Al
  参考文献:Organic Letters 日期:2009 卷标:11(17) 页码:3810-3813]
  
  403-42-9 = 824-75-9
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Ammonia Catalysts: Tetrabutylammonium Iodide Solvents: Water; 16 H,100 °C
  标题:Tbai-Catalyzed Oxidative Synthesis Of Benzamides From Acetophenones And Carbinols
  作者:Sharif,Muhammad; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2014 卷标:12(33) 页码:6359-6362]
  
  140-75-0 = 824-75-9
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: 2506117-64-0 Solvents: Dimethyl Sulfoxide; 60 H,80 °C
  标题:A New Facet Of Amide Synthesis By Tandem Acceptorless Dehydrogenation Of Amines And Oxygen Transfer Of Dmso
  作者:Nie,Xufeng; Et Al
  参考文献:Journal Of Catalysis 日期:2023 卷标:417 页码:153-163]
  
  1194-02-1 = 824-75-9
  反应条件:1.1 Reagents: Water Catalysts: Potassium Hydroxide,2768104-69-2 Solvents: Isopropanol; 4 H,85 °C
  标题:Development Of A Ruthenium-Aquo Complex For Utilization In Synthesis And Catalysis For Selective Hydration Of Nitriles And Alkynes
  作者:Saha,Rumpa; Et Al
  参考文献:New Journal Of Chemistry 日期:2022 卷标:46(19) 页码:9098-9110]
  
  1194-02-1 = 824-75-9
  反应条件:1.1 Reagents: Water Catalysts: (Sp-5-52)-[6-[[bis(1,1-Dimethylethyl)Phosphino-Kp]Methyl]-2-[[bis(1,1-Dimethylet... Solvents: Tert-Butanol; 1 D,Rt
  标题:Hydration Of Nitriles Using A Metal-Ligand Cooperative Ruthenium Pincer Catalyst
  作者:Guo,Beibei; Et Al
  参考文献:Chemical Science 日期:2019 卷标:10(45) 页码:10647-10652]
  
  39080-09-6 = 824-75-9
  反应条件:1.1 Reagents: Potassium Periodate Catalysts: Di-μ-Chlorodichlorobis[(1,2,3,6,7,8-η)-2,7-Dimethyl-2,6-Octadiene-1,8-Diyl]Dirut... Solvents: Water; 4 H,100 °C
  标题:Efficient Tandem Process For The Catalytic Deprotection Of N-Allyl Amides And Lactams In Aqueous Media: A Novel Application Of The Bis(Allyl)-Ruthenium(Iv) Catalysts [ru(η3:η2:η3-C12H18)Cl2] And [{ru(η3:η3-C10H16)(μ-Cl)Cl}2]
  作者:Cadierno,Victorio; Et Al
  参考文献:Chemistry - A European Journal 日期:2007 卷标:13(23) 页码:6590-6594]
  
  39887-14-4 = 824-75-9
  反应条件:1.1 Reagents: Potassium Periodate Catalysts: Dichloro[(1,2,3,6,7,10,11,12-η)-2,6,10-Dodecatriene-1,12-Diyl]Ruthenium Solvents: Water; 3 H,100 °C
  标题:Efficient Tandem Process For The Catalytic Deprotection Of N-Allyl Amides And Lactams In Aqueous Media: A Novel Application Of The Bis(Allyl)-Ruthenium(Iv) Catalysts [ru(η3:η2:η3-C12H18)Cl2] And [{ru(η3:η3-C10H16)(μ-Cl)Cl}2]
  作者:Cadierno,Victorio; Et Al
  参考文献:Chemistry - A European Journal 日期:2007 卷标:13(23) 页码:6590-6594]
  
  459-23-4 = 824-75-9
  反应条件:1.1 Catalysts: Iridium(2+),Triaqua[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl... Solvents: Water; 12 H,110 °C
  标题:Rearrangement Of Aldoximes To Amides In Water Under Air Atmosphere Catalyzed By Water-Soluble Iridium Complex [cp*ir(H2O)3][otf]2
  作者:Sun,Chunlou; Et Al
  参考文献:Catalysis Science & Technology 日期:2014 卷标:4(4) 页码:988-996]
  
  459-56-3 = 824-75-9
  反应条件:1.1 Reagents: Ammonia,Oxygen Catalysts: Manganese Oxide (Mno2) Solvents: 2-Methyl-2-Butanol,Water; 24 H,130 °C
  标题:Product Selectivity Controlled By Manganese Oxide Crystals In Catalytic Ammoxidation
  作者:Wang,Hai; Et Al
  参考文献:Chinese Journal Of Catalysis 日期:2021 卷标:42(12) 页码:2164-2172]
  
  459-56-3 = 824-75-9
  反应条件:1.1 Catalysts: Sodium Iodide,Polystyrene (Reaction Product Of Cupric Acetate With Schiff Base From Acetylacetone...),2,2′-[(1,3-Dimethyl-1,3-Propanediylidene)Dinitrilo]Bis[phenol] Solvents: Dimethylformamide; 5 D,110 °C1.2 Catalysts: Cupric Acetate (Reaction Product Of Schiff Base From Acetylacetone And 2-Hydroxyanilin...) Solvents: Dimethylformamide; 3 H,110 °C1.3 Reagents: Tert-Butyl Hydroperoxide,Ammonia,Oxygen Solvents: Dimethylformamide,Water; 5 H,1 Atm,80 °C
  标题:An Aerobic Oxidative Synthesis Of Aryl Nitriles And Primary Aryl Amides From Benzylic Alcohols Catalyzed By A Polymer Supported Cu(Ii) Complex
  作者:Molla,Rostam Ali; Et Al
  参考文献:New Journal Of Chemistry 日期:2015 卷标:39(2) 页码:921-930]
  
  499-90-1 = 824-75-9
  反应条件:1.1 Reagents: Ammonium Chloride,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Acetonitrile,Water; 30 Min,Rt
  标题:Amide Bond Formation In Aqueous Solution: Direct Coupling Of Metal Carboxylate Salts With Ammonium Salts At Room Temperature
  作者:Tung,Truong Thanh; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2021 卷标:19(46) 页码:10073-10080]
  
  352-34-1 = 824-75-9
  反应条件:1.1 Reagents: Sodium Azide Catalysts: Poly(Methylhydrosiloxane),Tris(Dibenzylideneacetone)Dipalladium,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Tetrahydrofuran,Water; 1 Atm,50 °C
  标题:The Challenge Of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic And Catalyst Deactivation Studies To A Highly Efficient Process
  作者:Miloserdov,Fedor M.; Et Al
  参考文献:Organometallics 日期:2014 卷标:33(3) 页码:736-752]
  
  352-34-1 = 824-75-9
  反应条件:1.1 Reagents: Poly(Methylhydrosiloxane),Sodium Azide Catalysts: Tris(Dibenzylideneacetone)Dipalladium,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Tetrahydrofuran,Water; 4 H,1 Atm,50 °C
  标题:Palladium-Catalyzed Aromatic Azidocarbonylation
  作者:Miloserdov,Fedor M.; Et Al
  参考文献:Angewandte Chemie 日期:2012 卷标:51(15) 页码:3668-3672]
  
  352-34-1 = 824-75-9
  反应条件:1.1 Reagents: Ammonia Catalysts: Palladium Diacetate,1,3,5,7-Tetramethyl-8-Phenyl-2,4,6-Trioxa-8-Phosphatricyclo[3.3.1.13,7]Decane Solvents: Toluene,Water; 3 - 8 H,100 Psi,130 °C
  标题:Palladium-Catalyzed Aminocarbonylation Of Aryl Iodides Using Aqueous Ammonia
  作者:Xu,Tongyu; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(40) 页码:5496-5499]
  
  588-95-4 + 7304-35-0 = 824-75-9
  反应条件:1.1 Catalysts: 2135660-74-9 Solvents: Water; 4 H,100 °C
  标题:Synthesis And Catalytic Applications Of Ruthenium(Ii)-Phosphino-Oxime Complexes
  作者:Francos,Javier; Et Al
  参考文献:Rsc Advances 日期:2016 卷标:6(45) 页码:39044-39052]
  
  456-22-4 = 824-75-9
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 1 H,Rt1.2 Reagents: Ammonium Hydroxide Solvents: Tetrahydrofuran; 1 H,0 °C
  标题:Hit-To-Lead Optimization Of Novel Phenyl Imidazole Carboxamides That Are Active Against Leishmania Donovani
  作者:Mcnamara,Nicole; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2022 卷标:240]
  
  = 824-75-9
  反应条件:1.1 Reagents: Potassium Carbonate,Ammonia Catalysts: 2257489-47-5 Solvents: Dimethyl Sulfoxide; 1095 Torr,Cooled; Rt; 24 H,110 °C
  标题:Mechanistic Studies Of Palladium-Catalyzed Aminocarbonylation Of Aryl Chlorides With Carbon Monoxide And Ammonia
  作者:Wang,Justin Y.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(25) 页码:7979-7993]
  
  403-42-9 = 824-75-9
  反应条件:1.1 Reagents: Iodine,Ammonia Solvents: Tetrahydrofuran,Water; 1 H,Rt
  标题:Novel Synthesis Of Primary Arylamides From Aryl Methyl Ketone Oxidations Using Iodine In Aqueous Ammonia
  作者:Angeles,Norma A.; Et Al
  参考文献:Journal Of The Brazilian Chemical Society 日期:2010 卷标:21(5) 页码:905-908

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
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