CAS: 86265-88-5; 3-Bromo-4-Chlorobenzaldehyde

• 英文名称3-Bromo-4-Chlorobenzaldehyde
• 中文名称3-溴-4-氯苯甲醛
• IUPAC名称3-bromo-4-chlorobenzaldehyde
• 其它别名3-溴-4-氯苯甲醛 Cas:86265-88-5; Benzaldehyde, 3-Bromo-4-Chloro-
• CAS编号86265-88-5
• MFCD编号:MFCD08059100
• EINECS号:855-332-6
• 分子式:C7H4BrClO
• 分子量:219.46
• 产品CID: 1863724
• 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: AKDABJGHOOCVKX-UHFFFAOYSA-N
• InChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点70°C
• 沸点277.8±20.0 °C at 760 mmHg
• 闪点121.8±21.8°C
• 密度1.7±0.1 g/cm3
• PSA:17.07
• LogP:2.915
• 折射率1.623
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态白色固体
• 储存条件惰性气氛,2-8°C
• 产品应用该化合物用于实验室研究与开发过程和化学生产过程.

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 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
• 危险品标志Xi
• 安全声明H303+H313+H333

欧盟法规

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合成工艺路线路线简述

• 合成目标产物 3-Bromo-4-Chloro-Benzaldehyde 主要起始原料 (3-Bromo-4-Chloro-Phenyl)-Methanol
• 16588-34-4 = 86265-88-5
  反应条件:1.1 Reagents: 4,4′-Bipyridinium,1,1′-Diheptyl-,Bromide (1:2) Solvents: Water; 23 °C; 23 °C -> 5 °C1.2 Reagents: Potassium Carbonate,Sodium Dithionite Solvents: Water; 5 °C; 4 H,23 °C2.1 Reagents: Hydrogen Bromide Solvents: Water; 0 °C2.2 Reagents: Sodium Nitrite Solvents: Water; 0 °C; 30 Min2.3 Reagents: Copper Bromide (Cubr),Hydrogen Bromide; 23 °C2.4 Solvents: Water; 45 Min,60 °C
  标题:Synthesis And Structure-Activity Relationships Of A Novel Series Of 2,3,5,6,7,9-Hexahydrothieno[3,2-B]Quinolin-8(4H)-One 1,1-Dioxide Katp Channel Openers: Discovery Of (-)-(9S)-9-(3-Bromo-4-Fluorophenyl)-2,3,5,6,7,9- Hexahydrothieno[3,2-B]Quinolin-8(4H)-One 1,1-Dioxide (A-278637),A Potent Katp Opener That Selectively Inhibits Spontaneous Bladder Contractions
  作者:Carroll,William A.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2004 卷标:47(12) 页码:3163-3179]
  
  77740-83-1 = 86265-88-5
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Water; 0 °C1.2 Reagents: Sodium Nitrite Solvents: Water; 0 °C; 30 Min1.3 Reagents: Copper Bromide (Cubr),Hydrogen Bromide; 23 °C1.4 Solvents: Water; 45 Min,60 °C
  标题:Synthesis And Structure-Activity Relationships Of A Novel Series Of 2,3,5,6,7,9-Hexahydrothieno[3,2-B]Quinolin-8(4H)-One 1,1-Dioxide Katp Channel Openers: Discovery Of (-)-(9S)-9-(3-Bromo-4-Fluorophenyl)-2,3,5,6,7,9- Hexahydrothieno[3,2-B]Quinolin-8(4H)-One 1,1-Dioxide (A-278637),A Potent Katp Opener That Selectively Inhibits Spontaneous Bladder Contractions
  作者:Carroll,William A.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2004 卷标:47(12) 页码:3163-3179]
  
  31928-46-8 = 86265-88-5
  反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Dimethylformamide; 2 H,Rt1.2 Reagents: Triethylamine Catalysts: Tris(Dibenzylideneacetone)Dipalladium; 6 H,70 °C
  标题:Use Of Carbonyldiimidazole As An Activator Of Formic Acid In A Tris(Dibenzylideneacetone)Dipalladium-Catalyzed Formylation Of Aryl Iodides
  作者:Nadhagopal,Sundar; Et Al
  参考文献:Synlett 日期:2023 卷标:34(15) 页码:1809-1813

海关参考信息

• 2903919090-氯苯
  2912110000-甲醛
  2912210000-苯甲醛
  2903991000-对氯甲苯
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• 详情请参考：📖 海关编码查询和海关进出口税则

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