CAS: 79839-49-9; 2-Bromoisophthalaldehyde

• 英文名称2-Bromoisophthalaldehyde
• 中文名称2-溴间苯二甲醛
• IUPAC名称2-bromoisophthalaldehyde
• 其它别名1,6-二甲酰基溴苯; 2-Bromoisophthaldehyde
• CAS编号79839-49-9
• MFCD编号:MFCD08461034
• EINECS号:679-578-7
• 分子式:C8H5BrO2
• 分子量:213.03
• 产品CID: 1792358
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: RZUSSKMZLHKMHU-UHFFFAOYSA-N
• InChI=1S/C8H5BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点139-144°C
• 沸点298.0±25.0 °C at 760 mmHg
• 闪点121.4±9.7 °C
• 密度1.7±0.1 g/cm3
• PSA:34.14
• LogP:2.0741
• 折射率1.657
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• 外观形态米色固体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用于制作含有抗癌活性的小碱类小碱类.

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)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 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.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  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P264-P270-P301+P310-P330-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 危险类别码22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 25006-88-6 = 79839-49-9
  反应条件:1.1 Reagents: Formic Acid Solvents: Water; Rt; Rt -> Reflux; Reflux
  标题:Synthesis Of (13C6-Ring-(U))-(+/-)-Benzo(A)Pyrene Metabolites From (13C6-Ring-(U))Benzene
  作者:Diel,Bruce N.; Et Al
  参考文献:Journal Of Labelled Compounds And Radiopharmaceuticals 日期:2007 卷标:50(5-6) 页码:551-553]
  
  25006-88-6 = 79839-49-9
  反应条件:1.1 Reagents: Sodium Acetate,Calcium Carbonate Catalysts: Tetrabutylammonium Bromide Solvents: Water; 3 D,Reflux
  标题:Nickel Complexes Having (N-C-N) Tridentate Ligands
  作者:Lee,Dong Hwan; Et Al
  参考文献:Journal Of The Korean Chemical Society 日期:2007 卷标:51(6) 页码:499-505]
  
  135590-51-1 = 79839-49-9
  反应条件:1.1 Reagents: Silver Nitrate Solvents: Acetonitrile,Water; Heated; 45 Min,Reflux; Reflux -> 60 °C
  标题:Preparation And Characterization Of Dinuclear Palladium Tetraamine-Thiophenolate Complexes Coligated By Bridging Acetate And Acetamidate Units
  作者:Lozan,Vasile; Et Al
  参考文献:Inorganica Chimica Acta 日期:2007 卷标:360(10) 页码:3189-3195]
  
  59346-22-4 = 79839-49-9
  反应条件:1.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; Overnight,Rt
  标题:Convenient And Versatile Synthesis Of Formyl-Substituted Benzoxaboroles
  作者:Ye,Long; Et Al
  参考文献:Tetrahedron 日期:2009 卷标:65(42) 页码:8738-8744]
  
  576-22-7 = 79839-49-9 [标题:Reaction Conditions
  标题:Substituent Effect Of Diimino-Palladium (Ii) Pincer Complexes On The Catalysis Of Sonogashira Coupling Reaction
  作者:Zhang,Jin-Hua; Et Al
  参考文献:Polyhedron 日期:2015 卷标:96 页码:107-112]
  
  135590-51-1 = 79839-49-9
  反应条件:1.1 Reagents: Formic Acid Solvents: Formic Acid; 12 H,Reflux
  标题:Synthesis Of The O-Quinones And Other Oxidized Metabolites Of Polycyclic Aromatic Hydrocarbons Implicated In Carcinogenesis
  作者:Harvey,Ronald G.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(6) 页码:2024-2032]
  
  576-22-7 = 79839-49-9
  反应条件:1.1 Reagents: N-Bromosuccinimide Catalysts: Azobisisobutyronitrile Solvents: Carbon Tetrachloride; Rt; Rt -> Reflux; 2 D,Reflux1.2 Reagents: Calcium Carbonate Solvents: 1,4-Dioxane,Water; 2 D,Reflux1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Design And Synthesis Of De Novo Cytotoxic Alkaloids By Mimicking The Bioactive Conformation Of Paclitaxel
  作者:Sun,Liang; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2010 卷标:18(19) 页码:7101-7112]
  
  576-22-7 = 79839-49-9
  反应条件:1.1 Reagents: Chromium Trioxide,Sulfuric Acid Solvents: Acetic Anhydride,Water; 0 °C; 2 H,0 °C -> 15 °C1.2 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane,Water; 4 H,Reflux
  标题:Synthesis Of Chiral Acetals By Asymmetric Selenenylations
  作者:Uehlin,Lars; Et Al
  参考文献:Phosphorus 日期:2009 卷标:184(6) 页码:1374-1385]
  
  = 79839-49-9
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol,Water; 0 °C; 1 H,0 °C1.2 Reagents: Water; 0 °C
  标题:Diels-Alder Reactivity Of Binuclear Complexes With Calixarene-Like Structures
  作者:Kaess,Steffen; Et Al
  参考文献:Angewandte Chemie 日期:2006 卷标:45(1) 页码:101-104]
  
  576-22-7 = 79839-49-9
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Acetic Anhydride,Water; < -20 °C1.2 Reagents: Chromium Trioxide Solvents: Acetic Anhydride; < -20 °C1.3 Reagents: Water; Cooled; 12 H,Rt2.1 Reagents: Sulfuric Acid Solvents: Methanol,Water; 0 °C; 1 H,0 °C2.2 Reagents: Water; 0 °C
  标题:Diels-Alder Reactivity Of Binuclear Complexes With Calixarene-Like Structures
  作者:Kaess,Steffen; Et Al
  参考文献:Angewandte Chemie 日期:2006 卷标:45(1) 页码:101-104]
  
  39622-80-5 = 79839-49-9
  反应条件:1.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; 0 °C; Overnight,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 6 - 72.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; Overnight,Rt
  标题:Convenient And Versatile Synthesis Of Formyl-Substituted Benzoxaboroles
  作者:Ye,Long; Et Al
  参考文献:Tetrahedron 日期:2009 卷标:65(42) 页码:8738-8744]
  
  22433-91-6 = 79839-49-9
  反应条件:1.1 Reagents: Thionyl Chloride; 5 H,Rt -> 100 °C; 4 H,100 °C1.2 Reagents: Triethylamine Solvents: Methanol; 0 °C; 2 H,Rt2.1 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; 0 °C; Overnight,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 6 - 73.1 Reagents: Pyridinium Chlorochromate Solvents: Dichloromethane; Overnight,Rt
  标题:Convenient And Versatile Synthesis Of Formyl-Substituted Benzoxaboroles
  作者:Ye,Long; Et Al
  参考文献:Tetrahedron 日期:2009 卷标:65(42) 页码:8738-8744

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
• 💡 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

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