CAS: 933-76-6; 4,5-Dichloro-2-Methylpyridazin-3(2H)-One

• 英文名称4,5-Dichloro-2-Methylpyridazin-3(2H)-One
• 中文名称4,5-二氯-2-甲基哒嗪-3-酮
• IUPAC名称4,5-dichloro-2-methylpyridazin-3(2H)-one
• 其它别名4,5-二氯-2-甲基-3(2H)-哒嗪酮; 5-24-02-00023 (Beilstein Handbook Reference)
• CAS编号933-76-6
• MFCD编号:MFCD00051686
• EINECS号:628-178-0
• 分子式:C5H4Cl2N2O
• 分子量:179.0
• 产品CID: 1972970
• 产品分类有机原料→分子砌块→芳杂环类化合物→哒嗪类化合物

• 相似结构搜索
• InChIKey: ACKBTCUMGAHRIE-UHFFFAOYSA-N
• InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点87-91°C
• 沸点197.2°C at 760 mmHg
• 闪点73.1±30.1 °C
• 密度1.6±0.1 g/cm3
• pKa:-3.57±0.20(预测)
• PSA:34.89
• LogP:1.0871
• 折射率1.612
• 蒸汽压0.4±0.4 mmHg at 25°C
• 溶解性Soluble In Ethanol
• 敏感性常温常压下稳定
• 外观形态白色至橙色至绿色粉末至晶体
• 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合成4-氨基-3(2 H)-丙酮和5-氨--3-2(2 H)-1-氮酮.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 危险类别急性毒性 类别3(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2
  皮肤致敏 类别1
  急性毒性 类别3(吸入)
  急性毒性 类别3(经皮)
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H301 |吞咽会中毒.
  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.
  H317 |可能引起皮肤过敏反应.
  H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
• 防范说明P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志Xn
• 包装等级Ⅲ
• 安全声明26-36
• 危险类别码22-36/37/38-43
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 57697-64-0 = 933-76-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Toluene,Water; 1 H,Rt1.2 0.5 H,Rt1.3 Reagents: Acetic Acid; Rt -> 45 °C; 6 - 8 H,45 °C
  标题:Pyridazinone Compound And Its Application
  参考文献:China]
  
  57697-64-0 = 933-76-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Toluene,Water; 1 H,Rt1.2 0.5 H,Rt1.3 Reagents: Acetic Acid; Rt -> 45 °C; 6 - 8 H,45 °C
  标题:Pyridazinone Compound And Application In Agriculture
  参考文献:World Intellectual Property Organization]
  
  932-22-9 = 933-76-6
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; Overnight,Rt1.2 Reagents: Water; 15 Min,Cooled
  标题:Preparation Of Herbicidal Pyridazinone Derivatives
  参考文献:World Intellectual Property Organization]
  
  = 933-76-6 [标题:Reaction Conditions
  标题:Synthesis And Characterizations Of Pyridazine-Based Iron Chelators
  作者:Ma,Yongmin; Kong,Xiaole; Chen,Yu-Lin; Hider,Robert C.
  参考文献:Dalton Transactions 日期:2014 卷标:43(45) 页码:17120-17128]
  
  = 933-76-6 [标题:Reaction Conditions
  标题:An Efficient And Practical Method For The Synthesis Of 1-(2,6-Difluorobenzoyl)-3-(2-Alkyl-3-Oxopyridazin-4-Yl)Ureas As Potential Chitin Synthesis Inhibitors
  作者:Cao,Song; Lu,De-Li; Zhao,Chuan-Meng; Li,Li-Na; Huang,Qing-Chun; Et Al
  参考文献:Monatshefte Fuer Chemie 日期:2006 卷标:137(6) 页码:779-784]
  
  = 933-76-6 [标题:Reaction Conditions
  标题:Concurrent Alkylation-Methoxylation Of 4,5-Dihalopyridazin-6-Ones And Synthesis Of 5-Halo-4-Hydroxypyridazin-6-Ones
  作者:Cho,Su-Dong; Choi,Woo-Yong; Yoon,Yong-Jin
  参考文献:Journal Of Heterocyclic Chemistry 日期:1996 卷标:33(6) 页码:1579-1582]
  
  = 933-76-6 [标题:Reaction Conditions
  标题:Retro-Ene Reaction. Ii. Reaction Of 4,5-Dichloro-1-Hydroxymethylpyridin-6-One With Alkyl Halides And Carboxylic Acid Chlorides
  作者:Kim,Sung-Kyu; Cho,Su-Dong; Kweon,Deok-Heon; Lee,Sang-Gyeong; Chung,Joo-Wha; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:1996 卷标:33(2) 页码:245-248]
  
  932-22-9 = 933-76-6
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 12 H,Rt -> Reflux
  标题:Preparation Of Substituted Pyridazinone Derivatives As Histamine-3 (H3) Receptor Ligands
  参考文献:World Intellectual Property Organization]
  
  766-40-5 = 933-76-6 [标题:Reaction Conditions
  标题:Studies On The Imidazo[4,5-D]Pyridazine Ring System. Course Of Alkylation Of Imidazo[4,5-D]Pyridazine-4-Thione
  作者:Chen,Shih-Fong; Panzica,Raymond P.
  参考文献:Journal Of Organic Chemistry 日期:1981 卷标:46(12) 页码:2467-73]
  
  932-22-9 = 933-76-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Tetrabutylammonium Bromide Solvents: Acetonitrile; 4 H,115 °C
  标题:Derivatives Of 2H-Pyridazin-3-Ones,Their Preparation And Their Use As Scd-1 Inhibitors
  参考文献:World Intellectual Property Organization]
  
  932-22-9 = 933-76-6
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 2 H,Rt
  标题:Preparation Of Piperidinyl Isoindolinone Derivatives With Antiproliferative Activity For Cancer Therapy
  参考文献:World Intellectual Property Organization]
  
  932-22-9 = 933-76-6 [标题:Reaction Conditions
  标题:Synthesis And Pharmacological Study Of A Series Of 3(2H)-Pyridazinones As Analgesic And Antiinflammatory Agents
  作者:Santagati,N. A.; Duro,F.; Caruso,A.; Trombadore,S.; Amico-Roxas,M.
  参考文献:Farmaco 日期:1985 卷标:40(12) 页码:921-9]
  
  = 933-76-6
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Water; 2.5 - 5 H,0 °C -> Rt1.2 Solvents: Acetic Acid; 30 Min,Rt -> Reflux
  标题:Compositions,Methods,And Systems Of The Synthesis And Use Of Imaging Agents
  参考文献:World Intellectual Property Organization]
  
  932-22-9 = 933-76-6
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 16 H,100 °C
  标题:Fungicidal Substituted Heterocycles And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  932-22-9 = 933-76-6
  反应条件:1.1 Reagents: Potassium Carbonate
  标题:Functionalization Of 4,5-Dichloropyridazin-3(2H)-One
  作者:Sung,Gi Hyeon; Kim,Bo Ram; Ryu,Ki Eun; Yoon,Yong-Jin
  参考文献:Journal Of The Korean Chemical Society 日期:2014 卷标:58(1) 页码:140-144]
  
  932-22-9 = 933-76-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 15 Min,Rt; Rt -> 278 K; < 278 K1.2 < 278 K; 1 H,288 - 293 K
  标题:4,5-Dichloro-2-Methylpyridazin-3(2H)-One
  作者:Goh,Jia Hao; Fun,Hoong Kun; Rukmini,P. V. R.; Kalluraya,B.
  参考文献:Acta Crystallographica 日期:2009 卷标:65(12)]
  
  932-22-9 = 933-76-6 [标题:Reaction Conditions
  标题:Synthesis,Spectral Properties,And Pesticidal Activity Of 4,5-Dichloro-2-R-3-Oxo-2H-Pyridazines
  作者:Konecny,V.; Kovac,S.; Varkonda,S.
  参考文献:Chemicke Zvesti 日期:1984 卷标:38(2) 页码:239-46]
  
  = 933-76-6 [标题:Reaction Conditions
  标题:Novel Pyridazinones As Herbicides And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  = 933-76-6 [标题:Reaction Conditions
  标题:Derivatives Of 2H-Pyridazin-3-Ones,Their Preparation And Their Use As Scd-1 Inhibitors
  参考文献:France]
  
  = 933-76-6 [标题:Reaction Conditions
  标题:Studies Of Pyridazine Compounds. Xxvi. The Synthesis Of Pyridazino[4,5-B]Pyrrolo[1,2-D][1,4]Oxazines And A Pyridazino[4,5-B]Pyrrolo[1,2-D][1,4]Thiazine
  作者:Varga,Ildiko; Jerkovich,Gyula; Matyus,Peter
  参考文献:Journal Of Heterocyclic Chemistry 日期:1991 卷标:28(2) 页码:493-6

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• ➥ 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