CAS: 93-05-0; N,N-Diethyl-P-Phenylenediamine

• ⚠️《化妆品禁用原料目录》
• 英文名称N,N-Diethyl-P-Phenylenediamine
• 中文名称N,N-二乙基对苯二胺
• IUPAC名称N1,N1-diethylbenzene-1,4-diamine
• 其它别名N,N-二乙基-P-苯二胺; Nn二乙基对苯二胺; P-Amino-N,N-Diethylaniline
• CAS编号93-05-0
• MFCD编号:MFCD00007861
• EINECS号:202-214-1
• FDA UNII编号:0QQA4DFV2J
• 分子式:C10H16N2
• 分子量:164.25
• 产品CID: 1969324
• 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: QNGVNLMMEQUVQK-UHFFFAOYSA-N
• InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3…
• 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19-21°C
• 沸点115-116°C at 760 mmHg
• 闪点139°C
• 密度0.988 g/mL at 25 °C(文献)
• pKa:8.21±0.32(预测)
• PSA:29.26
• LogP:2.115
• 折射率n20/D 1.571(文献)
• 蒸汽压0.00298 [mmHg]
• 溶解性Water: Insoluble
• 敏感性本品有毒，皮肤接触有明显的过敏现象。
• 外观形态透明黄棕色至深棕色液体或低熔点固体
• 储存条件置于阴暗处,密封干燥,2-8°C
• 产品应用染料中间体.作彩色相显影剂.
• 性质描述浅黄色液体.熔点23°C,沸点260-262°C,115-116°C(0.67kPa).相对密度0.988.能与醇;醚混合,不溶于水.遇光或暴露在空气中变色.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06 & GHS05;
  注释: Skull and crossbones & Corrosion
• 危险类别急性毒性 类别3(经口)
  皮肤腐蚀 类别1B
• 警示词Danger(危险)
• 危险描述H301 |吞咽会中毒.
  H314 |造成严重皮肤灼伤和眼损伤.
• 防范说明P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501
• 危险等级8 (6.1)
• UN编号1673.0
• 危险品标志T
• 包装等级Ⅱ
• 安全声明26-36-45
• 危险类别码25-34
• 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 N,N-Diethyl-1,4-Phenylenediamine 主要起始原料 N,N-Diethyl-4-Nitroaniline
• 104007-17-2 = 93-05-0
  反应条件:1.1 Reagents: Ethylenediamine Solvents: Ethanol; 15 Min,Rt
  标题:2,2-Bis(Ethoxycarbonyl)Vinyl (Becv) As A Versatile Amine Protecting Group For Selective Functional-Group Transformations
  作者:Ilangovan,Andivelu; Kumar,Rajendran Ganesh
  参考文献:Chemistry - A European Journal 日期:2010 卷标:16(9) 页码:2938-2943]
  
  = 93-05-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; Overnight,Rt
  标题:Preparation Of Benzenesulfonamide Derivatives As Signal Transduction Inhibitors Of Transforming Growth Factor-β (Tgf-β)
  参考文献:World Intellectual Property Organization]
  
  = 93-05-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 5 H,Rt
  标题:Design,Synthesis And Biological Evaluation Of Novel 2,4-Diaminopyrimidine Derivatives As Potent Antitumor Agents
  作者:Hu,Gang; Wang,Chu; Xin,Xin; Li,Shuaikang; Li,Zefei; Et Al
  参考文献:New Journal Of Chemistry 日期:2019 卷标:43(25) 页码:10190-10202]
  
  = 93-05-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 5 H,1 Atm,Rt
  标题:Discovery Of Potent,Selective Stem Cell Factor Receptor/platelet Derived Growth Factor Receptor Alpha (C-Kit/pdgfrα) Dual Inhibitor For The Treatment Of Imatinib-Resistant Gastrointestinal Stromal Tumors (Gists)
  作者:Lu,Yanli; Mao,Fei; Li,Xiaokang; Zheng,Xinyu; Wang,Manjiong; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(12) 页码:5099-5119]
  
  = 93-05-0
  反应条件:1.1 Reagents: Methanol,Aluminum,Ammonium Chloride Solvents: Methanol; 5 H,60 - 65 °C
  标题:Reduction Of Nitrosoarenes Into Anilines By Al/nh4Cl In Refluxing Methanol
  作者:Nagaraja,D.; Pasha,M. A.
  参考文献:Indian Journal Of Chemistry 日期:2004 卷标:(3) 页码:593-594]
  
  = 93-05-0
  反应条件:1.1 Reagents: Zinc,Hydrochloric Acid Solvents: Water; 4 H,20 - 25 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 7 - 8
  标题:Method For Preparing Cationic Blue Dye
  参考文献:China]
  
  = 93-05-0
  反应条件:1.1 Reagents: Goethite,Hydrazine Hydrate (1:1) Solvents: Ethanol; 0 °C; 4 H,80 °C
  标题:Discovery Of Benzo[d]Oxazole Derivatives As The Potent Type-I Flt3-Itd Inhibitors
  作者:Bao,Jiyin; Liu,Haichun; Zhi,Yanle; Yang,Wenqianzi; Zhang,Jiawei; Et Al
  参考文献:Bioorganic Chemistry 日期:2020 卷标:94]
  
  1066-87-1 = 93-05-0
  反应条件:1.1 Catalysts: Palladium,Dichlorobis[tris(2-Methylphenyl) Phosphite-P]-,(Sp-4-1)- Solvents: Toluene
  标题:The Stille Reaction
  作者:Farina,Vittorio; Krishnamurthy,Venkat; Scott,William J.
  参考文献:Organic Reactions (Hoboken 日期:1997 卷标:50]
  
  = 93-05-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium; 333 K
  标题:Synthesis And Catalytic Properties Of Immobilized Palladium-Potassium Humate Catalysts Supported On Mineral Supports
  作者:Aubakirov,E. A.
  参考文献:Izvestiya Natsional'Noi Akademii Nauk Respubliki Kazakhstan 日期:2007 卷标:(4) 页码:30-34]
  
  = 93-05-0 [标题:Reaction Conditions
  标题:Process For Preparing N,N-Diethyl-1,4-Phenylenediamine Oxalate
  参考文献:China]
  
  = 93-05-0
  反应条件:1.1 Catalysts: Nickel Nitrate; 4 H,400 °C1.2 Reagents: Hydrogen Catalysts: 1-Butanaminium,N,N′-[1,2-Phenylenebis(Carbonyloxy-2,1-Ethanediyl)]Bis[n,N-Dimet...; 3 H,1 Mpa,30 °C
  标题:Process For The Preparation Of 4-(Dialkylamino)Aniline By Hydrogenation Of 4-(Dialkylamino)Nitrobenzene
  参考文献:China]
  
  = 93-05-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 4 H,Rt
  标题:Combination Of 4-Anilinoquinazoline,Arylurea And Tertiary Amine Moiety To Discover Novel Anticancer Agents
  作者:Zuo,Sai-Jie; Zhang,Sai; Mao,Shuai; Xie,Xiao-Xiao; Xiao,Xue; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2016 卷标:24(2) 页码:179-190]
  
  694-80-4 = 93-05-0
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,Benzophenone Imine Catalysts: [2′,6′-Bis(1-Methylethoxy)[1,1′-Biphenyl]-2-Yl]Dicyclohexylphosphine,Palladium(1+),[bis(1,1-Dimethylethyl)[2′,4′,6′-Tris(1-Methylethyl)[1,1′-Bipheny... Solvents: Tetrahydrofuran; 4 H,23 °C; 5 Min,23 °C -> 80 °C; 12 H,80 °C; 80 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 3 - 4 H,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 10 - 13,Rt
  标题:Catalyst-Directed Chemoselective Double Amination Of Bromo-Chloro(Hetero)Arenes: A Synthetic Route Toward Advanced Amino-Aniline Intermediates
  作者:Mikhailine,Alexandre A.; Grasa Mannino,Gabriela A.; Colacot,Thomas J.
  参考文献:Organic Letters 日期:2018 卷标:20(8) 页码:2301-2305]
  
  = 93-05-0
  反应条件:1.1 Reagents: Zinc,Ammonium Chloride Solvents: Methanol,Tetrahydrofuran; 0 °C; 18 H,Rt
  标题:Optimization Of Wz4003 As Nuak Inhibitors Against Human Colorectal Cancer
  作者:Yang,Huali; Wang,Xiaobing; Wang,Cheng; Yin,Fucheng; Qu,Lailiang; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2021 卷标:210]
  
  = 93-05-0
  反应条件:1.1 Reagents: Iron,Ammonium Chloride Solvents: Ethanol,Water; 5 H,Reflux
  标题:Preparation Of (Fluoropyrimidine)Diamines And Its Application In Anti-Renal Interstitial Fibrosis Drugs
  参考文献:China]
  
  = 93-05-0
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; < Ph 3,Rt1.2 Reagents: Zinc; 38 °C; 2 H,38 °C
  标题:Synthesis And Characterization Of New Polisher Agent Used In Electroplating
  作者:Wyrebska,Lucja; Szuster,Lucjan; Stawska,Halina
  参考文献:Technologia I Jakosc Wyrobow 日期:2012 卷标:56(1-2) 页码:30-35]
  
  = 93-05-0
  反应条件:1.1 Reagents: Zinc,Hydrochloric Acid Solvents: Water; 20 °C; 2.5 H,20 °C1.2 Reagents: Sodium Hydroxide; Ph 14
  标题:Process For Preparation Of N,N-Diethyl-1,4-Diaminobenzene Phosphate
  参考文献:China]
  
  = 93-05-0
  反应条件:1.1 Reagents: Zinc; Ph 5,Rt
  标题:Synthesis And Photochemical Virus Inactivation Of Novel Phenothiazines
  作者:Wen,Hui; Wang,Xiaofang; Huang,Yi; Wang,Jingxing; Yang,Guangzhong
  参考文献:Yaoxue Xuebao 日期:2010 卷标:45(1) 页码:72-76]
  
  = 93-05-0 [标题:Reaction Conditions
  标题:Process For Preparation Of N,N-Diethyl-1,4-Phenylenediamine Sulfate With High Purity
  参考文献:China]
  
  = 93-05-0 [标题:Reaction Conditions
  标题:Indoles As Mpges-1 Inhibitors,And Their Preparation,Pharmaceutical Compositions And Their Use In Treatment Of Inflammation
  参考文献:World Intellectual Property Organization

海关参考信息

• 2901100000-饱和无环烃
• 💡 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