CAS: 95-58-9; 2-Chloro-3-Methylpyrazine

• 英文名称2-Chloro-3-Methylpyrazine
• 中文名称2-氯-3-甲基吡嗪
• IUPAC名称2-chloro-3-methylpyrazine
• 其它别名2-氯-3-甲基吡嗪
• CAS编号95-58-9
• MFCD编号:MFCD00023279
• EINECS号:202-434-8
• FDA UNII编号:ZWK9VBZ5ZX
• 分子式:C5H5ClN2
• 分子量:128.56
• 产品CID: 2009102
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡嗪类化合物

• 相似结构搜索
• 产品信息参考;;
• InChIKey: WZHWPZQQPWKEAV-UHFFFAOYSA-N
• InChI=1S/C5H5ClN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数0可旋转键数0

相似化合物

物理性质

• 沸点169.5°C at 760 mmHg
• 闪点70.2±11.5°C
• 密度1.2±0.1 g/cm3
• pKa:-0.31±0.10(预测)
• PSA:25.78
• LogP:1.43842
• 折射率1.530
• 蒸汽压2.0±0.3 mmHg at 25°C
• 外观形态无色液体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用该化合物用于制作大型环尿素活性抑制剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P362-P403+P233-P405-P501
• 危险品标志Xn
• 安全声明26-39
• 危险类别码22-37/38-41
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 109-08-0 = 95-58-9
  反应条件:1.1 Reagents: Hydrochloric Acid,Hydrogen Peroxide Solvents: Water; 0 - 15 °C1.2 Reagents: Copper Bromide (Cubr)
  标题:Method For Preparing Halogenated Nitrogen-Containing Unsaturated Cyclic Hydrocarbon
  参考文献:China]
  
  534-26-9 = 95-58-9 [标题:Reaction Conditions
  标题:Reactions Of Halomethanes In The Vapor Phase. Part 5. The Reactions Of Imidazolines,Anils,And 1-Methylimidazole With Chloroform At 550°C,And A Comparison With Their Liquid-Phase Reactions With Trichloroacetate Ion Or Hexachloroacetone And Base
  作者:Busby,Reginald E.; Khan,Mohammad A.; Khan,Mohammad R.; Parrick,John; Shaw,C. J. Granville
  参考文献:Journal Of The Chemical Society 日期:1980 卷标:(7) 页码:1431-5]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:Aromatic Amino Ethers As Pain Relieving Agents
  参考文献:World Intellectual Property Organization]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:Pyrrylmethylthio Flavoring Agents
  参考文献:United States]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:Furfurylthioacetone
  参考文献:United States]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:Flavoring Agents
  参考文献:United States]
  
  693-98-1 = 95-58-9 [标题:Reaction Conditions
  标题:Reactions Of Halomethanes In The Vapor Phase. Part 4. The Reactions Of Imidazoles With Chloroform At 500°C,And A Comparison With Their Liquid-Phase Reactions With Trichloroacetate Ion Or Hexachloroacetone And Base
  作者:Busby,Reginald E.; Khan,Mohammad A.; Khan,Mohammad R.; Parrick,John; Shaw,C. J. Granville; Et Al
  参考文献:Journal Of The Chemical Society 日期:1980 卷标:(7) 页码:1427-30]
  
  109-08-0 = 95-58-9 [标题:Reaction Conditions
  标题:Product Class 14: Pyrazines
  作者:Sato,N.
  参考文献:Science Of Synthesis 日期:2004 卷标:16 页码:751-844]
  
  19838-07-4 = 95-58-9
  反应条件:1.1 Reagents: Phosphorus Oxychloride,Phosphorus Pentachloride
  标题:Synthesis Of Alkoxy-,(Alkylthio)-,Phenoxy-,And (Phenylthio)Pyrazines And Their Olfactive Properties
  作者:Masuda,Hideki; Mihara,Satoru
  参考文献:Journal Of Agricultural And Food Chemistry 日期:1986 卷标:34(2) 页码:377-81]
  
  109-08-0 = 95-58-9
  反应条件:1.1 Reagents: Chlorine
  标题:New Syntheses Of Thieno[2,3-B]Pyrazine
  作者:Bourguignon,Jean; Lemarchand,Marc; Quequiner,Guy
  参考文献:Journal Of Heterocyclic Chemistry 日期:1980 卷标:17(2) 页码:257-64]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:Synthesis And Biological Evaluation Of New Tetramethylpyrazine-Based Chalcone Derivatives As Potential Anti-Alzheimer Agents
  作者:Wang,Meng; Qin,Hua-Li; Leng,Jing; Ameeduzzafar; Amjad,Muhammad Wahab; Et Al
  参考文献:Chemical Biology & Drug Design 日期:2018 卷标:92(5) 页码:1859-1866]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:Preparation Of N-(Heterocyclyl)Sulfonamide Derivatives And Their Use As Endothelin Receptor Antagonists
  参考文献:World Intellectual Property Organization]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:Studies On Pyrazines; Part 30: Synthesis Of Aminopyrazines From Azidopyrazines
  作者:Sato,Nobuhiro; Matsuura,Tomoyuki; Miwa,Naoko
  参考文献:Synthesis 日期:1994 卷标:(9) 页码:931-4]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:2,5-Dimethyl-3-Thiopyrazines
  参考文献:United States]
  
  = 95-58-9 [标题:Reaction Conditions
  标题:Flavoring Agent
  参考文献:United States]
  
  109-08-0 = 95-58-9 + 38557-71-0
  反应条件:1.1 Reagents: Chlorine Solvents: Carbon Tetrachloride; 60 Min,-15 °C1.2 2 H,-15 °C -> Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Basified,Rt
  标题:Convenient Synthesis Of Stable Deuterium-Labeled Alkylpyrazines For Use In Stable Isotope Dilution Assays
  作者:Fang,Mingchih; Cadwallader,Keith R.
  参考文献:Journal Of Agricultural And Food Chemistry 日期:2013 卷标:61(15) 页码:3580-3588

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• ➥ 防范代码详解
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