CAS: 96-31-1; 1,3-Dimethylurea

• 英文名称1,3-Dimethylurea
• 中文名称1,3-二甲基脲
• IUPAC名称1,3-dimethylurea
• 其它别名二甲脲; 13二甲基脲; Symmetric Dimethylurea; 1,3-Dimethylurea
• CAS编号96-31-1
• MFCD编号:MFCD00008286
• EINECS号:202-498-7
• 分子式:C3H8N2O
• 分子量:88.11
• 产品CID: 2016970
• 产品分类有机原料→分子砌块→脂肪链类化合物

• 相似结构搜索
• InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N
• InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)…
• 计算化学: 氢键受体数1.0氢键供体数2可旋转键数0

相似化合物

物理性质

• 熔点101-104 °C
• 沸点268-270 °C at 760 mmHg
• 闪点124.3±18.9 °C
• 密度0.9±0.1 g/cm3
• PH:9.0-9.5 (100g/l, H2O, 20°C)
• pKa:14.57±0.46(预测)
• PSA:41.13
• LogP:-0.4548
• 折射率1.414
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性水: 0.1 G/ml, Clear, Colorless
• 敏感性1.避免与氧化物接触。2.本品稍有毒性。采用纸袋包装，每袋45kg。按一般化学品贮运。
• 外观形态白色晶体
• 储存条件存储低于 +30°C.
• 产品应用该化合物用于水成和TSUJI-TROST反应的溶剂.通过无溶剂条件下的比基内利凝聚,合成N,N-二代-4-ARYL-34-二氢米地酮.
• 性质描述密度1.142,熔点101-105°C,沸点268-270°C,闪点157°C,水溶性765g/L(21.5°C)

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别生殖毒性 类别2
  特定目标器官毒性-重复接触 类别2
  急性毒性 类别5(经口)
• 警示词Warning(警告)
• 危险描述H361 |怀疑对生育能力或胎儿造成损害.
  H373 |长期或反复接触可能损害器官.
  H303 |May be 吞咽有害
• 防范说明P261-P302+P352-P304+P340
• UN编号NONH for all modes of transport
• 安全声明22-24/25
• 危险类别码62-63-68
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 868-84-8 = 96-31-1
  反应条件:1.1 Solvents: Water; 5 Min,60 °C; 2 H,60 °C
  标题:Preparation Of Mono-,Di-,And Trisubstituted Ureas By Carbonylation Of Aliphatic Amines With S,S-Dimethyl Dithiocarbonate
  作者:Artuso,Emma; Degani,Iacopo; Fochi,Rita; Magistris,Claudio
  参考文献:Synthesis 日期:2007 卷标:(22) 页码:3497-3506]
  
  54986-14-0 = 96-31-1 [标题:Reaction Conditions
  标题:Photochemical Formation Of Methylenecyclopropane Analogs. 5. Synthesis And Photolysis Of 1,4-Dialkyl-1,4-Dihydro-5H-Tetrazol-5-Ones And Thiones: Novel Approach To Diaziridinones And Carbodiimides
  作者:Quast,Helmut; Bieber,Lothar
  参考文献:Chemische Berichte 日期:1981 卷标:114(10) 页码:3253-72]
  
  63376-58-9 = 96-31-1
  反应条件:1.1 Reagents: Hydrazine
  标题:Heterocyclic β-Enamino Esters. 20. New Adducts Of 4-Phenyl-1,2,4-Triazoline-3,5-Dione And Phthalazine-1,4-Dione
  作者:Wamhoff,Heinrich; Wald,Klemens
  参考文献:Chemische Berichte 日期:1977 卷标:110(5) 页码:1716-29]
  
  4869-46-9 = 96-31-1
  反应条件:1.1 Reagents: Acetylacetone,Potassium Carbonate Solvents: Dichloromethane
  标题:Heterocyclic Transformations. Part 7. Unprecedented Transformations Of 1,3-Dialkyl-5-Formyluracils To 1,3-Dialkyl-7-Hydroxyquinazolines
  作者:Singh,Harjit; Singh,Palwinder; Chimni,Swapandeep Singh; Kumar,Subodh
  参考文献:Journal Of The Chemical Society 日期:1995 卷标:(18) 页码:2363-7]
  
  28924-76-7 = 96-31-1
  反应条件:1.1 Reagents: Sodium Iodide Solvents: Acetone
  标题:Covalent Adduct Formation In 1,2,4-Thiadiazolo Activated Pyrimidinones
  作者:Keilen,Gunnar; Undheim,Kjell
  参考文献:Acta Chemica Scandinavica 日期:1988 卷标:42(6) 页码:362-6]
  
  57-13-6 = 96-31-1
  反应条件:1.1 Rt -> 135 °C; 35 °C
  标题:Continuous Production Of Dimethylurea
  参考文献:China]
  
  57-13-6 = 96-31-1
  反应条件:1.1 Reagents: Hydrogen Catalysts: Potassium Perruthenate; 6 H,250 °C
  标题:Method For Alkylating An Amino Compound
  参考文献:World Intellectual Property Organization]
  
  = 96-31-1 [标题:Reaction Conditions
  标题:Rayon
  参考文献:France]
  
  = 96-31-1 [标题:Reaction Conditions
  标题:Dimethylurea
  参考文献:United States]
  
  57-13-6 = 96-31-1 [标题:Reaction Conditions
  标题:The Urea Dearrangement. Ii
  作者:Davis,T. L.; Blanchard,K. C.
  参考文献:Journal Of The American Chemical Society 日期:1923 卷标:45 页码:1816-20]
  
  79645-01-5 = 96-31-1
  反应条件:1.1 Reagents: Hydrochloric Acid,Water Solvents: Water
  标题:Synthesis Of Novel-N-Nitrosothioureas And Examination Of Their Mechanisms Of Formation By High-Field Nitrogen-15 And Carbon-13 Nuclear Magnetic Resonance Spectra Of Specifically Labeled Compounds
  作者:Lown,J. William; Chauhan,Shive M. S.
  参考文献:Journal Of Organic Chemistry 日期:1983 卷标:48(4) 页码:507-12]
  
  62533-73-7 = 96-31-1 [标题:Reaction Conditions
  标题:Metalated Nitrogen Derivatives Of Carbonic Acid In Organic Synthesis. Xvi. Synthesis Of 2-Alkylimino- And 2-Arylimino-1,3-Oxathiolanes From Lithiated S,S'-Dialkyl Imidodithiocarbonates And Carbonyl Compounds
  作者:Hoppe,Dieter; Follmann,Rainer; Beckmann,Ludger
  参考文献:Liebigs Annalen Der Chemie 日期:1980 卷标:(11) 页码:1765-78]
  
  = 96-31-1
  反应条件:1.1 Catalysts: Palladium,Iron Chloride (Fecl3) Solvents: Methanol,Dimethylformamide; 6 H,80 Pa,75 °C
  标题:Synthesis And Architecture Of Polystyrene-Supported Schiff Base-Palladium Complex: Catalytic Features And Functions In Diaryl Urea Preparation In Conjunction With Suzuki-Miyaura Cross-Coupling Reaction By Reductive Carbonylation
  作者:Basu,Priyanka; Riyajuddin,Sk; Dey,Tusar Kanto; Ghosh,Aniruddha; Ghosh,Kaushik; Et Al
  参考文献:Journal Of Organometallic Chemistry 日期:2018 卷标:877 页码:37-50]
  
  = 96-31-1
  反应条件:1.1 Catalysts: Dichloro[2-(2-Pyridinyl-Kn)-1H-Benzimidazole-Kn3]Ruthenium Solvents: Methanol,Dimethylformamide; 10 Min,Rt1.2 Catalysts: Iron Chloride (Fecl3); 5 H,4 Atm,90 °C
  标题:Chloromethylated Polystyrene Immobilized Ruthenium Complex Of 2-(2-Pyridyl)Benzimidazole Catalyst For The Synthesis Of Bioactive Disubstituted Ureas By Carbonylation Reaction
  作者:Dey,Tusar Kanto; Ghosh,Kajari; Basu,Priyanka; Molla,Rostam Ali; Islam,Sk. Manirul
  参考文献:New Journal Of Chemistry 日期:2018 卷标:42(11) 页码:9168-9176]
  
  = 96-31-1
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Acetonitrile-D3
  标题:Mild,Orthogonal Solid-Phase Peptide Synthesis: Use Of Nα-Dithiasuccinoyl (Dts) Amino Acids And N-(Iso-Propyldithio)Carbonylproline,Together With P-Alkoxybenzyl Ester Anchoring Linkages
  作者:Albericio,Fernando; Barany,George
  参考文献:International Journal Of Peptide & Protein Research 日期:1987 卷标:30(2) 页码:177-205]
  
  96-31-1 = 96-31-1
  反应条件:1.1 48 H,80 °C
  标题:Deep Eutectic Silsesquioxane Hybrids With Quaternary Ammonium/urea Derivatives: Synthesis And Physicochemical And Ion-Conductive Properties
  作者:Tanizaki,Y.; Maeda,Y.; Sasaki,Y.; Ogawa,H.; Mori,H.
  参考文献:Materials Today Chemistry 日期:2021 卷标:20]
  
  = 96-31-1
  反应条件:1.1 6 H,20 Mpa,220 °C
  标题:Method For Immediately Synthesizing Organic Carbonate Ester From Carbon Dioxide And Organic Amine
  参考文献:China]
  
  16066-84-5 = 96-31-1
  反应条件:1.1 Solvents: Methanol
  标题:Cellular Interfaces With Hydrogen-Bonded Organic Semiconductor Hierarchical Nanocrystals
  作者:Sytnyk,Mykhailo; Jakesova,Marie; Litvinukova,Monika; Mashkov,Oleksandr; Kriegner,Dominik; Et Al
  参考文献:Nature Communications 日期:2017 卷标:8(1) 页码:1-11]
  
  57-13-6 = 96-31-1
  反应条件:1.1 30 Min,120 °C
  标题:Production Process Of Caffeine
  参考文献:China

海关参考信息

• 2912110000-甲醛
  2921199090-其他无环单胺
• 💡 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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• ➥ REACH监管