CAS: 872-85-5; 4-Pyridinecarboxaldehyde

• 英文名称4-Pyridinecarboxaldehyde
• 中文名称4-吡啶甲醛
• IUPAC名称isonicotinaldehyde
• 其它别名异烟醛; 4甲醛吡啶; P-Pyridinealdehyde; P-Pyridylaldehyde; Pyridine-4-Carboxaldehyde
• CAS编号872-85-5
• MFCD编号:MFCD00006425
• EINECS号:212-832-3
• FDA UNII编号:P577557492
• 分子式:C6H5NO
• 分子量:107.11
• 产品CID: 1879134
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N
• InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H…
• 计算化学: 氢键受体数2.0氢键供体数0可旋转键数1

相似化合物

物理性质

• 熔点-4 °C
• 沸点71-73°C at 10 mmHg
• 闪点54.4 °C
• 密度1.1±0.1 g/cm3
• PH:7-8 (H2O, 20°C)(saturated aqueous solution)
• pKa:12.05(at 30°C)
• PSA:29.96
• LogP:0.8941
• 折射率1.573
• 蒸汽压0.5±0.3 mmHg at 25°C
• 溶解性20G/l
• 敏感性空气敏感
• 外观形态透明棕黄色液体 (透明)
• 储存条件储存在 +2°C to +8°C.
• 产品应用用于有机合成.
• 性质描述微黄色油状液体.沸点82-83°C(2.13kPa),相对密度1.122,折光率1.5352(25°C).闪点54°C.能溶于水及乙醚.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05 & GHS07;
  注释: Corrosion & Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  皮肤致敏 类别1
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
  急性毒性 类别4(吸入)
  皮肤腐蚀 类别1B
  水生慢性毒性 类别3
  皮肤腐蚀 类别1
  易燃液体 类别3
• 警示词Danger(危险)
• 危险描述H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H317 |可能引起皮肤过敏反应.
  H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
  H332 |吸入有害.
  H314 |造成严重皮肤灼伤和眼损伤.
  H412 |对水生生物有害并具有长期持续影响.
  H226 |易燃液体和蒸气.
• 防范说明P261-P272-P273-P280
• 危险等级8
• UN编号1760.0
• 危险品标志Xi,F
• 风险等级Irritant/Keep Cold/Air Sensitive
• 包装等级Ⅱ
• 安全声明26-36-36/37/39-16
• 危险类别码36/37/38-10
• WGK Germany1

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 4-Pyridinecarboxaldehyde 主要起始原料 4-Cyanopyridine
• 100-48-1 = 872-85-5
  反应条件:1.1 Reagents: Potassium Carbonate,Water Catalysts: Carbon Solvents: Dimethyl Sulfoxide; 8 H,60 °C
  标题:Metal-Free Nitrogen -Doped Carbon Nanosheets: A Catalyst For The Direct Synthesis Of Imines Under Mild Conditions
  作者:Wang,Kaizhi; Et Al
  参考文献:Green Chemistry 日期:2019 卷标:21(9) 页码:2448-2461]
  
  586-95-8 = 872-85-5
  反应条件:1.1 Reagents: Oxygen Catalysts: 1-Methylimidazole,9-Azabicyclo[3.3.1]Non-9-Yloxy,Copper,Bromo(4′-Methoxy[2,2′-Bipyridin]-4-Ol-Kn1,Kn1′)- (Supported On Tentagel Resin) Solvents: Acetonitrile; 5 Min,Rt
  标题:Bipyridine Copper Functionalized Polymer Resins As Support Materials For The Aerobic Oxidation Of Alcohols
  作者:Sand,Henning; Et Al
  参考文献:Polymer International 日期:2017 卷标:66(3) 页码:428-435]
  
  7216-42-4 = 872-85-5
  反应条件:1.1 Catalysts: 2142695-99-4 Solvents: Acetonitrile; 20 H,30 °C
  标题:Visible-Light-Responsive Catalysis Of A Zinc-Introduced Lacunary Disilicoicosatungstate For The Deoxygenation Of Pyridine N-Oxides
  作者:Jeong,Jinu; Et Al
  参考文献:New Journal Of Chemistry 日期:2017 卷标:41(22) 页码:13226-13229]
  
  = 872-85-5
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: 1-Hexadecanaminium,N,N,N-Trimethyl-,(Pb-7-34-111′1′2)-Oxodiperoxy(2-Pyridineca... Solvents: Water; 24 H,50 °C
  标题:Controlled And Predictably Selective Oxidation Of Activated And Unactivated C(Sp3)-H Bonds Catalyzed By A Molybdenum-Based Metallomicellar Catalyst In Water
  作者:Thiruvengetam,Prabaharan; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(6) 页码:4061-4077]
  
  7757-39-3 = 872-85-5
  反应条件:1.1 Reagents: Oxygen Catalysts: Cuprous Chloride Solvents: Dichloromethane
  标题:Regeneration Of Carbonyl Compounds By Oxidative Cleavage Of Carbon-Nitrogen Double Bonds With Molecular Oxygen In The Presence Of Copper(I) Chloride/kieselguhr As Catalyst
  作者:Hashemi,Mohammed M.; Et Al
  参考文献:Synthetic Communications 日期:2001 卷标:31(2) 页码:295-299]
  
  696-54-8 = 872-85-5
  反应条件:1.1 Reagents: Chromic Acid (H2Cro4) (Silica Bound) Catalysts: Silica; 5 Min,Rt
  标题:Microwave-Assisted Chemoselective Regeneration Of Carbonyl Compounds From Oximes By Silica Chromate/wet Sio2 Under Solvent-Free Conditions
  作者:Zolfigol,Mohammad Ali; Et Al
  参考文献:Phosphorus 日期:2006 卷标:181(11) 页码:2453-2458]
  
  80880-49-5 = 872-85-5
  反应条件:1.1 Reagents: 1,1,3,3-Tetramethyldisiloxane,Oxygen Catalysts: Iron Chloride (Fecl3) Solvents: Ethanol; 12 H,Rt
  标题:Iron-Catalyzed Oxidative C-C(Vinyl) σ-Bond Cleavage Of Allylarenes To Aryl Aldehydes At Room Temperature With Ambient Air
  作者:Liu,Binbin; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2019 卷标:55(33) 页码:4817-4820]
  
  5526-59-0 = 872-85-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin,Silica,Water Solvents: Dichloromethane; 2.2 H,Rt1.2 Reagents: Silica,Sulfuric Acid; 0.25 H,Rt
  标题:1,3-Dibromo-5,5-Dimethylhydantoin As An Efficient And Chemoselective Agent For The Regeneration Of Carbonyl Compounds From Semicarbazones And Oximes
  作者:Khazaei,Ardeshir; Et Al
  参考文献:Organic Preparations And Procedures International 日期:2006 卷标:38(5) 页码:484-490]
  
  14874-70-5 + 45715-27-3 = 872-85-5
  反应条件:1.1 Reagents: Oxygen,Cesium Fluoride Solvents: Ethyl Acetate; 15 H,25 °C
  标题:Transition-Metal-Free Oxidation Of Benzylic C-H Bonds Of Six-Membered N-Heteroaromatic Compounds
  作者:Gao,Xianying; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2019 卷标:84(7) 页码:4040-4049]
  
  55-22-1 = 872-85-5
  反应条件:1.1 Reagents: Sodium Borohydride Catalysts: 2032417-67-5 Solvents: Dimethylformamide; 15 Min,30 °C; 2 H,Reflux
  标题:Silver-Sulphur Oxido-Vanadium Cluster: A Newly Born Catalyst For Direct Reduction Of Aryl Carboxylic Acids To Aldehydes Via Mars And Van Krevelen Mechanism
  作者:Das,Biraj; Et Al
  参考文献:Chemistryselect 日期:2016 卷标:1(13) 页码:3750-3756]
  
  1570-45-2 = 872-85-5
  反应条件:1.1 Reagents: Aluminate(1-),Hydro(2-Methyl-2-Propanolato)Bis(2-Methylpropyl)-,Lithium (1:1),... Solvents: Toluene; 0 °C
  标题:Application Of Flow Chemistry To The Selective Reduction Of Esters To Aldehydes
  作者:Munoz,Juan De M.; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2012 卷标:2012(2) 页码:260-263]
  
  54-85-3 = 872-85-5
  反应条件:1.1 Reagents: Cupric Chloride,Sodium Borohydride Solvents: Methanol,Tetrahydrofuran
  标题:Effect Of Metal Ions In Organic Synthesis. Xxxv. Aldehydes From Acylhydrazines By Reduction With Sodium Borohydride In The Presence Of Cupric Chloride
  作者:Attanasi,Orazio A.; Et Al
  参考文献:Organic Preparations And Procedures International 日期:1988 卷标:20(4) 页码:405-8]
  
  10210-68-1 + 1120-87-2 = 872-85-5
  反应条件:1.1 Reagents: Sodium Acetate,Triethylsilane Catalysts: Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: Acetonitrile; 16 H,60 °C
  标题:Palladium-Catalyzed Reductive Carbonylation Of (Hetero)Aryl Halides And Triflates Using Cobalt Carbonyl As Co Source
  作者:Dogga,Bhushanarao; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(2) 页码:309-313]
  
  15854-87-2 = 872-85-5
  反应条件:1.1 Reagents: Triethylamine,Hydrogen Catalysts: Triphenylphosphine,Rhodium Trichloride Trihydrate Solvents: Dimethylacetamide; 12 H,10 Bar,90 °C
  标题:Rhodium-Catalyzed Reductive Carbonylation Of Aryl Iodides To Arylaldehydes With Syngas
  作者:Liu,Zhenghui; Et Al
  参考文献:Beilstein Journal Of Organic Chemistry 日期:2020 卷标:16 页码:645-656]
  
  100-48-1 = 872-85-5
  反应条件:1.1 Reagents: Aluminate(1-),Tris(N-Hexyl-1-Hexanaminato)Hydro-,Sodium,(T-4)- Solvents: Tetrahydrofuran
  标题:Conversion Of Aromatic Nitriles To Aldehydes By Sodium Tris(Dialkylamino)Aluminum Hydrides
  作者:Cha,Jin Soon; Et Al
  参考文献:Organic Preparations And Procedures International 日期:1994 卷标:26(5) 页码:583-8]
  
  586-95-8 = 872-85-5
  反应条件:1.1 Reagents: Dimethyl Sulfoxide,Cobalt Chloride (Cocl2)
  标题:Oxidation Of Alcohols To Carbonyl Compounds Via Alkoxysulfonium Ylides: The Moffat,Swern,And Related Oxidations
  作者:Tidwell,Thomas T.
  参考文献:Organic Reactions (Hoboken 日期:1990 卷标:39]
  
  586-95-8 = 872-85-5
  反应条件:1.1 Reagents: Oxygen Catalysts: Cesium,(Tribromoplumbyl)- Solvents: 1,2-Dichloroethane; 10.4 H,Rt
  标题:Visible-Light Photocatalytic Highly Selective Oxidation Of Alcohols Into Carbonyl Compounds By Cspbbr3 Perovskite
  作者:Fan,Qiangwen; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2023 卷标:88(20) 页码:14559-14570]
  
  7216-42-4 = 872-85-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Molybdenum Chloride Oxide (Mocl2O2),(T-4)- Solvents: Toluene; Rt -> 120 °C; 48 H,50 Atm,120 °C
  标题:Chemoselective Hydrogenation Of Nitroarenes And Deoxygenation Of Pyridine N-Oxides With H2 Catalyzed By Moo2Cl2
  作者:Reis,Patricia M.; Et Al
  参考文献:Tetrahedron Letters 日期:2009 卷标:50(8) 页码:949-952]
  
  = 872-85-5
  反应条件:1.1 Reagents: Oxygen Catalysts: Copper Chloride Dihydrate Solvents: Dimethyl Sulfoxide; 45 H,100 °C
  标题:Copper-Catalyzed Selective Oxygenation Of Methyl And Benzyl Substituents In Pyridine With O2
  作者:Abe,Tsukasa; Et Al
  参考文献:Chemistry Letters 日期:2017 卷标:46(3) 页码:348-350]
  
  7757-39-3 = 872-85-5
  反应条件:1.1 Reagents: Silica,Water,Silicon Tetrachloride Solvents: Hexane; 0.17 H,Reflux
  标题:Silica Chloride/wet Sio2 As A Novel Heterogeneous System For Deprotection Of Oximes,Hydrazones,And Semicarbazones
  作者:Shirini,F.; Et Al
  参考文献:Synthetic Communications 日期:2003 卷标:33(11) 页码:1839-1844]
  
  7757-39-3 = 872-85-5 [标题:Reaction Conditions
  标题:Aliphatic And Alicyclic Aldehydes: Synthesis By Hydrolysis
  作者:Plietker,B.
  参考文献:Science Of Synthesis 日期:2007 卷标:25 页码:151-197]
  
  696-54-8 = 872-85-5
  反应条件:1.1 Reagents: Silica (Phosphorous Trichloride Reaction Product),Phosphorus Trichloride (Silica Reaction Product) Catalysts: Bromine Solvents: Acetonitrile; 10 Min,Reflux
  标题:Silphos [pcl3-N(Sio2)N],A Heterogeneous Phosphine Reagent Mediated The Conversion Of Oximes To Nitriles And Amides Or Carbonyl Compounds
  作者:Iranpoor,Nasser; Et Al
  参考文献:Letters In Organic Chemistry 日期:2006 卷标:3(4) 页码:267-270]
  
  696-54-8 = 872-85-5
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin,Silica,Water Solvents: Dichloromethane; 2.5 H,Rt1.2 Reagents: Silica,Sulfuric Acid; 0.25 H,Rt
  标题:1,3-Dibromo-5,5-Dimethylhydantoin As An Efficient And Chemoselective Agent For The Regeneration Of Carbonyl Compounds From Semicarbazones And Oximes
  作者:Khazaei,Ardeshir; Et Al
  参考文献:Organic Preparations And Procedures International 日期:2006 卷标:38(5) 页码:484-490]
  
  28356-58-3 = 872-85-5
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Gold (Zno-Supported) Solvents: Chloroform; 24 H,Rt
  标题:On/off O2 Switchable Photocatalytic Oxidative And Protodecarboxylation Of Carboxylic Acids
  作者:Bazyar,Zahra; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2019 卷标:84(21) 页码:13503-13515]
  
  1453-82-3 = 872-85-5
  反应条件:1.1 Reagents: Hydrochloric Acid
  标题:Electroorganic Preparations. Xiii. Reduction Of Isonicotinic Amide And Related Compounds
  作者:Lund,Henning
  参考文献:Acta Chemica Scandinavica 日期:1963 卷标:17(8) 页码:2325-40]
  
  6304-16-1 = 872-85-5
  反应条件:1.1 Reagents: Water,Oxygen Catalysts: Iron Chloride (Fecl3) Solvents: Dimethyl Sulfoxide; 20 H,1 Atm,110 °C
  标题:Iron-Catalyzed Aerobic Oxidative Cleavage Of The C-C σ-Bond Using Air As The Oxidant: Chemoselective Synthesis Of Carbon Chain-Shortened Aldehydes,Ketones And 1,2-Dicarbonyl Compounds
  作者:Xing,Qi; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2016 卷标:52(3) 页码:489-492]
  
  = 872-85-5
  反应条件:1.1 Reagents: [hydroxy(Tosyloxy)Iodo]Benzene Solvents: Dichloromethane; 10 Min,Rt; 60 Min,Rt
  标题:[hydroxy(Tosyloxy)Iodo]Benzene-Mediated Regeneration Of Carbonyl Compounds By Cleavage Of Carbon Nitrogen Double Bonds
  作者:Aneja,Deepak K.; Et Al
  参考文献:Comptes Rendus Chimie 日期:2014 卷标:17(9) 页码:881-889]
  
  55-22-1 = 872-85-5
  反应条件:1.1 Reagents: Citric Acid,Potassium Chloride Solvents: Water
  标题:Electroorganic Preparations. Xi. Reduction Of Isonicotinic Acid In Acid Solution
  作者:Lund,Henning
  参考文献:Acts Chem. Scand. 日期:1963 卷标:17(4) 页码:972-8]
  
  55-22-1 = 872-85-5 [标题:Reaction Conditions
  标题:Arenecarbaldehydes: Synthesis By Reduction
  作者:Ditrich,K.
  参考文献:Science Of Synthesis 日期:2007 卷标:25 页码:563-574]
  
  54-85-3 = 872-85-5
  反应条件:1.1 Reagents: 2-Iodoxybenzoic Acid Catalysts: Ammonia Solvents: Chloroform,Water; 60 Min,Rt
  标题:Selective Oxidation Of Hydrazides Using O-Iodoxybenzoic Acid To Carboxylic Acids,Esters,And Aldehydes
  作者:Takale,Balaram S.; Et Al
  参考文献:Chemistry Letters 日期:2010 卷标:39(6) 页码:546-547

海关参考信息

• 2912110000-甲醛
  2933310010-吡啶
  2939800000-其他生物碱
• 💡 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

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