CAS: 939-97-9; 4-(Tert-Butyl)Benzaldehyde

• 英文名称4-(Tert-Butyl)Benzaldehyde
• 中文名称4-叔丁基苯甲醛
• IUPAC名称4-(tert-butyl)benzaldehyde
• 其它别名4-T-丁基苯甲醛; 4叔丁基苯甲醛; P-Tertbutyl Benzaldehyde
• CAS编号939-97-9
• MFCD编号:MFCD00035742
• EINECS号:213-367-9
• FDA UNII编号:QXF0QY8503
• 分子式:C11H14O
• 分子量:162.23
• 产品CID: 1984904
• 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
• InChIKey: OTXINXDGSUFPNU-UHFFFAOYSA-N
• InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点245-246 °C
• 沸点240.8±19.0 °C at 760 mmHg
• 闪点101°C
• 密度1.0±0.1 g/cm3
• PSA:17.07
• LogP:2.7966
• 折射率1.525
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Soluble In Water.
• 敏感性对空气和光线敏感
• 外观形态透明无色至黄色液体
• 储存条件请置于阴暗处, 惰性气氛中,2-8°C
• 产品应用用于合成香料,医药,染料.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS06 & GHS09;
  注释: Health hazard & Skull and crossbones & Environment
• 危险类别生殖毒性 类别2
  急性毒性 类别3(经口)
  皮肤致敏 类别1
  水生急性毒性 类别1
  急性毒性 类别4(经口)
  呼吸道致敏 类别1
  水生慢性毒性 类别1
• 警示词Danger(危险)
• 危险描述H361 |怀疑对生育能力或胎儿造成损害.
  H301 |吞咽会中毒.
  H317 |可能引起皮肤过敏反应.
  H400 |对水生生物毒性极大.
  H302 |吞咽有害.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H361fd |怀疑会影响生育能力. 怀疑对胎儿造成损害.
• 防范说明P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P405-P501
• 危险等级6.1
• UN编号2810.0
• 危险品标志Xn,N,Xi
• 风险等级Irritant
• 包装等级Ⅲ
• 安全声明36/37-60-61
• 危险类别码22-43-50/53
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Potassium Iodate Catalysts: 1,4-Diazabicyclo[2.2.2]Octane,Perchlorate (1:2) Solvents: Water; 30 Min,Reflux
  标题:Comparison Of The Accelerating Effects Of Two Ionic Liquids In The Oxidation Of Alcohols
  作者:Rahmanzadeh,Akram; Shirini,Farhad; Tajik,Hassan; Daneshvar,Nader
  参考文献:Organic Preparations And Procedures International 日期:2023 卷标:55(2) 页码:192-198]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Zinc Oxide (Zno),Graphene (Oxide) Solvents: Toluene; 12 Min,100 °C
  标题:Efficient Aerial Oxidation Of Different Types Of Alcohols Using Zno Nanoparticle-Mnco3-Graphene Oxide Composites
  作者:Adil,Syed Farooq; Assal,Mohamed E.; Shaik,Mohammed Rafi; Kuniyil,Mufsir; Hashmi,Azhar; Et Al
  参考文献:Applied Organometallic Chemistry 日期:2020 卷标:34(8)]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Copper Manganese Oxide Solvents: Toluene; 50 Min,102 °C
  标题:Selective Oxidation Of Benzylic Alcohols With Molecular Oxygen Catalyzed By Copper-Manganese Oxide Nanoparticles
  作者:Ali,Roushown; Assal,M. E.; Al-Warthan,Abdulrahman; Siddiqui,M. Rafiq H.
  参考文献:Asian Journal Of Chemistry 日期:2013 卷标:25(9) 页码:4815-4819]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Catalysts: Piperidinium,4-(Acetylamino)-2,2,6,6-Tetramethyl-,Nitrate,1-Oxide (1:1); 1 H,50 °C
  标题:Fast,Easy Oxidation Of Alcohols Using An Oxoammonium Salt Bearing The Nitrate Anion
  作者:Leon Sandoval,Arturo; Doherty,Katrina E.; Wadey,Geoffrey P.; Schroeder,Chelsea M.; Leadbeater,Nicholas E.
  参考文献:Tetrahedron Letters 日期:2023 卷标:116]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Catalysts: Tetrabutylammonium Tetrafluoroborate Solvents: Acetonitrile,Water; 10 Min,Rt
  标题:Direct Electrochemical Oxidation Of Alcohols With Hydrogen Evolution In Continuous-Flow Reactor
  作者:Wang,Dan; Wang,Pan; Wang,Shengchun; Chen,Yi-Hung; Zhang,Heng; Et Al
  参考文献:Nature Communications 日期:2019 卷标:10(1) 页码:1-8]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Tert-Butyl Nitrite,Oxygen Catalysts: Bis[1,3-Dihydro-1,1,3,3-Tetramethyl-4-(4-Pyridinyl-Kn)-7-(4-Pyridinyl)-2H-Isoind... Solvents: 1,1,2,2-Tetrachloroethane-D2; 12 H,80 °C
  标题:A Crystalline Porous Coordination Polymer Decorated With Nitroxyl Radicals Catalyzes Aerobic Oxidation Of Alcohols
  作者:Li,Liangchun; Matsuda,Ryotaro; Tanaka,Iku; Sato,Hiroshi; Kanoo,Prakash; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2014 卷标:136(21) 页码:7543-7546]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Gold,Aluminum Copper Magnesium Oxide Solvents: Mesitylene; 1 H,90 °C
  标题:Gold Supported On Cu-Mg-Al-Mixed Oxides: Strong Enhancement Of Activity In Aerobic Alcohol Oxidation By Concerted Effect Of Copper And Magnesium
  作者:Haider,Peter; Baiker,Alfons
  参考文献:Journal Of Catalysis 日期:2007 卷标:248(2) 页码:175-187]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Cobalt (Carbon Supported) Solvents: Heptane; 24 H,1 Bar,80 °C
  标题:A "Universal" Catalyst For Aerobic Oxidations To Synthesize (Hetero)Aromatic Aldehydes,Ketones,Esters,Acids,Nitriles,And Amides
  作者:Senthamarai,Thirusangumurugan; Chandrashekhar,Vishwas G.; Rockstroh,Nils; Rabeah,Jabor; Bartling,Stephan; Et Al
  参考文献:Chem 日期:2022 卷标:8(2) 页码:508-531]
  
  1746-23-2 = 939-97-9
  反应条件:1.1 Reagents: Poly(Oxy-1,2-Ethanediyl),α-[4-(Diphenylphosphino)Phenyl]-ω-[4-(Diphenylphosphin...
  标题:Triarylphosphine,Poly(Ethylene Glycol)Supported
  作者:Wentworth,Paul Jr.; Janda,Kim D.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2003 卷标:1 页码:1-2]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Catalysts: Cobalt Manganese Oxide Solvents: Toluene; 12 H,60 °C
  标题:Synthesis Method Of Aldehyde Or Ketone By Alcohol Oxidation Catalyzed By Cobalt Manganese-Based Composite Oxide
  参考文献:China]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Manganese Carbonate,Zinc Oxide (Zno) Solvents: Toluene; 6 Min,100 °C
  标题:Synthesis And Comparative Catalytic Study Of Zinc Oxide (Znox) Nanoparticles Promoted Mnco3,Mno2 And Mn2O3 For Selective Oxidation Of Benzylic Alcohols Using Molecular Oxygen
  作者:Adil,Syed F.; Assal,Mohamed E.; Kuniyil,Mufsir; Khan,Mujeeb; Shaik,Mohammed Rafi; Et Al
  参考文献:Materials Express 日期:2017 卷标:7(2) 页码:79-92]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Copper Manganese Oxide Solvents: Toluene; 30 Min,100 - 102 °C
  标题:Selective Oxidation Of Benzylic Alcohols Using Copper-Manganese Mixed Oxide Nanoparticles As Catalyst
  作者:Ali,Roushown; Nour,Kholoud; Al-Warthan,Abdulrahman; Siddiqui,M. Rafiq H.
  参考文献:Arabian Journal Of Chemistry 日期:2015 卷标:8(4) 页码:512-517]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: 1-Butanaminium,N,N,N-Tributyl-,Peroxymonosulfate (1:1) Catalysts: (Sp-5-13)-Chloro[[2,2′-[1,2-Phenylenebis[(Nitrilo-Kn)Methylidyne]]Bis[phenolato-... Solvents: Acetonitrile; < 1 Min,25 °C
  标题:Pronounced Catalytic Activity Of Manganese(Iii)-Schiff Base Complexes In The Oxidation Of Alcohols By Tetrabutylammonium Peroxomonosulfate
  作者:Rezaeifard,Abdolreza; Jafarpour,Maasoumeh; Nasseri,Mohammad Ali; Haddad,Reza
  参考文献:Helvetica Chimica Acta 日期:2010 卷标:93(4) 页码:711-717]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Sodium Periodate Catalysts: Imidazole,Manganese(2+),(Acetato-Ko)[[1,1′-[1,2-Ethanediylbis[(Nitrilo-Kn)Methylidyne[4-(... Solvents: Acetonitrile,Water; 30 Min,Rt
  标题:Water-Soluble Manganese(Iii) Salen Complex As A Mild And Selective Catalyst For Oxidation Of Alcohols
  作者:Bahramian,Bahram; Mirkhani,Valiollah; Moghadam,Majid; Amin,Amir H.
  参考文献:Applied Catalysis 日期:2006 卷标:315 页码:52-57]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Sodium Periodate Catalysts: Imidazole,(Sp-4-1)-[5,10,15,20-Tetra-4-Pyridinyl-21H,23H-Porphinato(2-)-Kn21,Kn22,Kn23,Kn2... Solvents: Acetonitrile,Water; 70 Min,Rt
  标题:Mild And Efficient Oxidation Of Alcohols With Sodium Periodate Catalyzed By Polystyrene-Bound Mn(Iii)Porphyrin
  作者:Moghadam,Majid; Tangestaninejad,Shahram; Mirkhani,Valiollah; Mohammadpoor-Baltork,Iraj; Kargar,Hadi
  参考文献:Bioorganic & Medicinal Chemistry 日期:2005 卷标:13(8) 页码:2901-2905]
  
  = 939-97-9
  反应条件:1.1 Reagents: Oxygen Catalysts: 6,11-Bis(4-Methylphenyl)Benz[b]Indeno[2,1-D]Thiopyran Solvents: Dichloromethane,1,1,1,3,3,3-Hexafluoro-2-Propanol; 24 H,Rt
  标题:Metal-Free Aerobic C-H Oxidation Of Methylarenes To Aromatic Aldehydes By Sulfur-Containing Tetracyclic Compounds As Visible-Light Photocatalysts
  作者:Shibata,Takanori; Akino,Mika; Sekine,Ayato; Ito,Mamoru
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:2022 卷标:95(5) 页码:768-770]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Cobalt Oxide (Co3O4),Manganese Solvents: Acetonitrile; 6 H,60 °C
  标题:Manganese Doping In Cobalt Oxide Nanorods Promotes Catalytic Dehydrogenation
  作者:Ke,Qingping; Yi,Ding; Jin,Yangxin; Lu,Fei; Zhou,Bo; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2020 卷标:8(14) 页码:5734-5741]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Titania Solvents: (Trifluoromethyl)Benzene; 30 Min,1 Atm,303 K; 6 H,1 Atm,303 K
  标题:Visible Light Induced Efficient Selective Oxidation Of Non-Activated Alcohols Over {001} Faceted Tio2 With Molecular Oxygen
  作者:Ghosh,Subhash Chandra; Vadakkekara,Raji; Biswas,Abulkalam; Sahoo,Tapan; Pal,Provas; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2016 卷标:11(21) 页码:3084-3089]
  
  1710-98-1 = 939-97-9
  反应条件:1.1 Reagents: Potassium Fluoride,Poly(Methylhydrosiloxane) Catalysts: Tetrabutylammonium Fluoride,Tris(2-Furyl)Phosphine,Tris(Dibenzylideneacetone)Dipalladium Solvents: Tetrahydrofuran,Water; 15 Min,Rt; 1 H,Rt
  标题:Pd(0)-Catalyzed Pmhs Reductions Of Aromatic Acid Chlorides To Aldehydes
  作者:Lee,Kyoungsoo; Maleczka,Robert E. Jr.
  参考文献:Organic Letters 日期:2006 卷标:8(9) 页码:1887-1888]
  
  877-65-6 = 939-97-9
  反应条件:1.1 Catalysts: Ethyl 2-Mercaptopropionate,2,4,5,6-Tetra(9H-Carbazol-9-Yl)Isophthalonitrile Solvents: Ethyl Acetate; 3 H,Rt
  标题:Photochemical Hydrogen Atom Transfer Catalysis For Dehydrogenation Of Alcohols To Form Carbonyls
  作者:Yang,Xiaona; Guo,Yunfei; Tong,Hong'En; Guo,Hongyu; Liu,Rongfang; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(29) 页码:5486-5491

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2912110000-甲醛
  2912210000-苯甲醛
• 💡 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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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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