CAS: 86-76-0; 2-Bromodibenzo[b,D]Furan

• 英文名称2-Bromodibenzo[b,D]Furan
• 中文名称2-溴二苯并呋喃
• IUPAC名称2-bromodibenzo[b,d]furan
• 其它别名2-Bromodibenzo[b,D]Furan; 4-Bromo-8-Oxatricyclo[7.4.0.0^{2,7}]Trideca-1(13),2,4,6,9,11-Hexaene; Dibenzofuran, 2-Bromo- (8Ci)(9Ci); 2-Bromodibenzofuran; 2-Bromo-Diben
• CAS编号86-76-0
• MFCD编号:MFCD00092338
• EINECS号:659-733-5
• FDA UNII编号:C36TC73SME
• 分子式:C12H7BrO
• 分子量:247.09
• 产品CID: 1870878
• 产品分类有机原料→分子砌块→芳杂环类化合物→氧芴类化合物

• 相似结构搜索
• InChIKey: CRJISNQTZDMKQD-UHFFFAOYSA-N
• InChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H…
• 计算化学: 氢键受体数1.0氢键供体数0可旋转键数0

物理性质

• 熔点121-122°C
• 沸点343.8°C at 760 mmHg
• 闪点162 °C
• 密度1.577
• PSA:13.14
• LogP:4.3485
• 折射率1.721
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Soluble In Hot Methanol.
• 外观形态白色至类白色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于弗里德尔-克拉夫斯断裂反应中的试剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  严重眼刺激 类别2
  水生慢性毒性 类别4
  皮肤腐蚀/刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  水生慢性毒性 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H413 |可能对水生生物造成长期有害影响.
  H315 |造成皮肤刺激.
  H335 |可能引起呼吸道刺激.
  H412 |对水生生物有害并具有长期持续影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi
• 安全声明26-36-60-61
• 危险类别码22-36-53

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-Bromodibenzofuran 主要起始原料 Dibenzofuran
• 132-64-9 = 86-76-0
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid
  标题:Aromatic Reactivity. Xviii. Acid Cleavage Of Trimethylsilyl Derivatives Of Diphenyl Ether,Diphenyl Sulfide,Furan,Thiophene,Benzothiophene,Dibenzothiophene,And 9-Ethylcarbazole
  作者:Eaborn,C.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1961 卷标:4921 页码:4921-7]
  
  101-55-3 = 86-76-0
  反应条件:1.1 Reagents: Pivalic Acid,Oxygen Catalysts: Zirconium Dioxide,Palladium Dihydroxide Solvents: Pivalic Acid,1,4-Dioxane; 48 H,0.5 Mpa,130 °C
  标题:Supported Palladium Hydroxide-Catalyzed Intramolecular Double Ch Bond Functionalization For Synthesis Of Carbazoles And Dibenzofurans
  作者:Ishida,Tamao; Et Al
  参考文献:Applied Catalysis 日期:2014 卷标:150 页码:150-151]
  
  14205-96-0 = 86-76-0
  反应条件:1.1 Reagents: N-Bromosuccinimide,Oxygen Solvents: Dichloromethane; 2 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt2.1 Reagents: Silver Carbonate,Oxygen Catalysts: 1,10-Phenanthroline,Cupric Acetate Solvents: Ethanol,Water; Rt; 15 H,40 °C
  标题:Synthesis Of Dibenzofurans By Cu-Catalyzed Deborylative Ring Contraction Of Dibenzoxaborins
  作者:Sumida,Yuto; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(16) 页码:6687-6691]
  
  74744-78-8 = 86-76-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 12 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt2.1 Reagents: Silver Carbonate Catalysts: Palladium Trifluoroacetate Solvents: Dimethyl Sulfoxide,1,4-Dioxane; 14 H,150 °C; 150 °C -> Rt
  标题:Palladium-Catalyzed Intramolecular Direct Arylation Of Benzoic Acids By Tandem Decarboxylation/c-H Activation
  作者:Wang,Congyang; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(12) 页码:4194-4195]
  
  1829-28-3 = 86-76-0
  反应条件:1.1 Reagents: Potassium Carbonate,Copper,Potassium Iodide Solvents: Dimethylformamide; 24 H,110 °C; 24 H,110 °C1.2 Solvents: Water; Rt2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 12 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt3.1 Reagents: Silver Carbonate Catalysts: Palladium Trifluoroacetate Solvents: Dimethyl Sulfoxide,1,4-Dioxane; 14 H,150 °C; 150 °C -> Rt
  标题:Palladium-Catalyzed Intramolecular Direct Arylation Of Benzoic Acids By Tandem Decarboxylation/c-H Activation
  作者:Wang,Congyang; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(12) 页码:4194-4195]
  
  = 86-76-0
  反应条件:1.1 Reagents: Silver Carbonate,Oxygen Catalysts: 1,10-Phenanthroline,Cupric Acetate Solvents: Ethanol,Water; Rt; 15 H,40 °C
  标题:Synthesis Of Dibenzofurans By Cu-Catalyzed Deborylative Ring Contraction Of Dibenzoxaborins
  作者:Sumida,Yuto; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(16) 页码:6687-6691]
  
  14874-70-5 = 86-76-0
  反应条件:1.1 Catalysts: Palladium Diacetate Solvents: Ethanol; 30 - 60 Min,Reflux
  标题:Synthesis Of Dibenzofurans By Palladium-Catalysed Tandem Denitrification/c-H Activation
  作者:Du,Zhenting; Et Al
  参考文献:Synlett 日期:2011 卷标:(20) 页码:3023-3025]
  
  74744-77-7 = 86-76-0
  反应条件:1.1 Reagents: Acetic Anhydride,Potassium Iodide Catalysts: [(1,2,5,6-η)-1,5-Cyclooctadiene](2,4-Pentanedionato-Ko2,Ko4)Rhodium; 10 H,160 °C
  标题:Rhodium-Catalyzed Decarbonylative C-H Arylation Of 2-Aryloxybenzoic Acids Leading To Dibenzofuran Derivatives
  作者:Maetani,Shinji; Et Al
  参考文献:Organic Letters 日期:2013 卷标:15(11) 页码:2754-2757]
  
  74744-77-7 = 86-76-0
  反应条件:1.1 Reagents: Silver Carbonate Catalysts: Palladium Trifluoroacetate Solvents: Dimethyl Sulfoxide,1,4-Dioxane; 14 H,150 °C; 150 °C -> Rt
  标题:Palladium-Catalyzed Intramolecular Direct Arylation Of Benzoic Acids By Tandem Decarboxylation/c-H Activation
  作者:Wang,Congyang; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(12) 页码:4194-4195]
  
  56966-46-2 = 86-76-0
  反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid Solvents: Water; 0.5 H,< 5 °C1.2 Reagents: Sulfuric Acid,Sodium Sulfate Solvents: Water; 2 H,135 °C
  标题:Facile Synthetic Method Of Dibenzofuran And Its Derivatives
  作者:Yue,Guo-Ren; Et Al
  参考文献:Yingyong Huaxue 日期:2004 卷标:21(1) 页码:20-23

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