CAS: 79762-54-2; 6-Bromo-1H-Indazole

• 英文名称6-Bromo-1H-Indazole
• 中文名称6-溴吲唑
• IUPAC名称6-bromo-1H-indazole
• 其它别名6-Bromo-1H-Indazole, 95%; 6-Bromo-2H-Indazole; Norepinephrine D-Bitartrate [mi]; 6-Bromo-1-H-Indazole; 6-Bromo-1H
• CAS编号79762-54-2
• MFCD编号:MFCD03265457
• EINECS号:626-742-0
• 分子式:C7H5BrN2
• 分子量:197.03
• 产品CID: 1791576
• 产品分类有机原料 → 杂环化合物

• 相似结构搜索
• InChIKey: WMKDUJVLNZANRN-UHFFFAOYSA-N
• InChI=1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点180-182
• 沸点333.8±15.0 °C(预测)
• 闪点155.69 °C
• 密度1.770±0.06 g/cm3(预测)
• pKa:12.78±0.40(预测)
• PSA:28.68
• LogP:2.3254
• 溶解性Soluble In Methanol
• 外观形态白色至淡黄色至浅橙色粉末至晶体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用作实验室研究与开发以及化学和制药合成工艺.

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)
  严重眼损伤 类别1
  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
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H318 |造成严重眼损伤.
  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.
  H332 |吸入有害.
  H312 |皮肤接触有害.
• 防范说明P261-P280a-P304+P340-P405-P501a-P280-P305+P351+P338-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
• 危险等级IRRITANT
• UN编号1759
• 危险品标志Xi,Xn
• 安全声明26-36/37-39
• 危险类别码22-41
• WGK Germany3

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 6-Bromoindazole 主要起始原料 4-Bromo-2-Fluorobenzaldehyde
• 1158680-88-6 = 79762-54-2
  反应条件:1.1 Catalysts: Acetyl Chloride Solvents: Methanol; 2.5 H,Rt1.2 Reagents: Triethylamine; Rt
  标题:Acetyl Chloride-Mediated Mild And Regioselective Attachment And Removal Of Tetrahydropyranyl (Thp) Group
  作者:Suresh,Thatipally; Et Al
  参考文献:International Journal Of Chemical Sciences 日期:2010 卷标:8(3) 页码:2013-2024]
  
  39478-78-9 = 79762-54-2
  反应条件:1.1 Reagents: Sodium Nitrite,Sodium Tetrafluoroborate1.2 Reagents: Potassium Acetate,18-Crown-6 Solvents: Chloroform
  标题:3-(Indol-2-Yl)Indazoles As Chek1 Kinase Inhibitors: Optimization Of Potency And Selectivity Via Substitution At C6
  作者:Fraley,Mark E.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2006 卷标:16(23) 页码:6049-6053]
  
  22532-62-3 = 79762-54-2
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1) Catalysts: P-Toluenesulfonic Acid Solvents: Polyethylene Glycol; 1 - 4 H,80 - 90 °C
  标题:Design,Synthesis And Evaluation Of Antibacterial Activity Of Novel Indazole Derivatives
  作者:Chabukswar,Anuruddha; Et Al
  参考文献:Current Bioactive Compounds 日期:2013 卷标:9(4) 页码:263-269]
  
  57848-46-1 = 79762-54-2
  反应条件:1.1 Reagents: Potassium Carbonate,O-Methylhydroxylamine Hydrochloride Solvents: 1,2-Dimethoxyethane; 40 °C1.2 Reagents: Hydrazine Solvents: 1,2-Dimethoxyethane; Reflux
  标题:A Novel Series Of Indazole-/indole-Based Glucagon Receptor Antagonists
  作者:Lin,Songnian; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(19) 页码:4143-4147]
  
  651780-33-5 = 79762-54-2
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 2 H,60 °C
  标题:Discovery Of 5-Azaindazole (Gne-955) As A Potent Pan-Pim Inhibitor With Optimized Bioavailability
  作者:Wang,Xiaojing; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(10) 页码:4458-4473]
  
  14874-70-5 = 79762-54-2
  反应条件:1.1 Reagents: Potassium Acetate,18-Crown-6 Solvents: Chloroform; 1 H,Rt
  标题:4-Substituted Indazoles As New Inhibitors Of Neuronal Nitric Oxide Synthase
  作者:Boulouard,Michel; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2007 卷标:17(11) 页码:3177-3180]
  
  39478-78-9 = 79762-54-2
  反应条件:1.1 Reagents: Potassium Acetate Solvents: Chloroform; 30 Min,Rt; 30 Min,60 - 65 °C1.2 Reagents: Isoamyl Nitrite; 30 Min; Overnight,Reflux2.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 2 H,60 °C
  标题:Discovery Of 5-Azaindazole (Gne-955) As A Potent Pan-Pim Inhibitor With Optimized Bioavailability
  作者:Wang,Xiaojing; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(10) 页码:4458-4473

专利信息

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