CAS: 92138-35-7; 6-Chloro-3-Nitropyridin-2(1H)-One

• 英文名称6-Chloro-3-Nitropyridin-2(1H)-One
• 中文名称6-氯-3-硝基吡啶-2(1H)-酮
• IUPAC名称6-chloro-3-nitropyridin-2(1H)-one
• 其它别名2-氯-5-硝基-6-羟基吡啶; 6-Chloro-3-Nitropyridin-2-Ol
• CAS编号92138-35-7
• MFCD编号:MFCD05261002
• EINECS号:825-376-0
• 分子式:C5H3ClN2O3
• 分子量:174.54
• 产品CID: 1959310
• 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
• InChIKey: SCGNWULOSYKTQP-UHFFFAOYSA-N
• InChI=1S/C5H3ClN2O3/c6-4-2-1-3(8(10)11)5(9)7-4/h1-2H,(H,7,9)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 沸点313.2°C at 760 mmHg
• 闪点143.2 °C
• 密度1.61±0.1 g/cm3(预测)
• pKa:3.68±0.10(预测)
• PSA:76.0
• LogP:0.9365
• 折射率1.602
• 蒸汽压0.000503 mmHg at 25 °C
• 外观形态淡棕色黄色粉末
• 储存条件惰性气氛,室温

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  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
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT, TOXIC

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 2-Hydroxy-3-Nitro-6-Chloropyridine 主要起始原料 2-Amino-6-Chloro-3-Nitropyridine
• 16013-85-7 = 92138-35-7
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Isopropanol; 4 H,100 °C
  标题:Preparation Of 3-Aminopyridines For Treatment Of Inflammatory And Malignant Diseases.
  参考文献:World Intellectual Property Organization]
  
  27048-04-0 = 92138-35-7
  反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid Solvents: Water; 0.5 H,0 °C1.2 Reagents: Water
  标题:Preparation Of Terphenyls And Related Polyaromatic Compounds As Proteomimetics For Inhibiting The Interaction Of An α-Helical Protein With Another Protein Or Binding Site
  参考文献:World Intellectual Property Organization]
  
  = 92138-35-7 [标题:Reaction Conditions
  标题:Hydroxylation Of Nitroarenes With Alkyl Hydroperoxide Anions Via Vicarious Nucleophilic Substitution Of Hydrogen
  作者:Makosza,Mieczyslaw; Sienkiewicz,Krzysztof
  参考文献:Journal Of Organic Chemistry 日期:1998 卷标:63(13) 页码:4199-4208]
  
  = 92138-35-7 [标题:Reaction Conditions
  标题:Synthesis Of New Pyridine Intermediates As Precursors For The Elaboration Of Streptonigrin Analogs By The Metalation-Cross-Coupling Strategy
  作者:Pomel,V.; Rovera,J. C.; Godard,A.; Marsais,F.; Queguiner,G.
  参考文献:Journal Of Heterocyclic Chemistry 日期:1996 卷标:33(6) 页码:1995-2005]
  
  27048-04-0 = 92138-35-7
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 10 Min,0 °C1.2 Reagents: Sodium Nitrite Solvents: Water; 10 Min,0 °C; 30 Min,0 °C1.3 Reagents: Water; Cooled
  标题:Preparation Of Substituted Purine Derivatives And Analogs As Antibacterial Agents
  参考文献:World Intellectual Property Organization]
  
  27048-04-0 = 92138-35-7
  反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid Solvents: Water; Rt
  标题:Flupirtine And Retigabine As Templates For Ligand-Based Drug Design Of Kv7.2/3 Activators
  作者:Surur,Abdrrahman S.; Bock,Christian; Beirow,Kristin; Wurm,Konrad; Schulig,Lukas; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2019 卷标:17(18) 页码:4512-4522

海关参考信息

• 2933310010-吡啶
  2904209090-其他仅含硝基或亚硝基衍生物
  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

专利信息

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