CAS: 915095-85-1; (5-Bromo-2-Chlorophenyl)(4-Fluorophenyl)Methanone

• 英文名称(5-Bromo-2-Chlorophenyl)(4-Fluorophenyl)Methanone
• 中文名称(5-溴-2-氯苯基)(4-氟苯基)甲酮
• IUPAC名称(5-bromo-2-chlorophenyl)(4-fluorophenyl)methanone
• 其它别名依帕列净杂质72; (5-Bromo-2-Chloro-Phenyl)-(4-Fluoro-Phenyl)-Methanone
• CAS编号915095-85-1
• MFCD编号:MFCD12410140
• FDA UNII编号:KU4JHK8SVX
• 分子式:C13H7BrClFO
• 分子量:313.55
• 产品CID: 1951758
• 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: LVILQFKAGQFQEK-UHFFFAOYSA-N
• InChI=1S/C13H7BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数2.0

物理性质

• 沸点390.6±37.0 °C at 760 mmHg
• 密度1.568±0.06 g/cm3(预测)
• PSA:17.07
• LogP:4.4726
• 外观形态白色至类白色固体
• 储存条件2-8°C

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P280-P302+P352
• 危险品标志Xi

合成工艺路线路线简述

• 合成目标产物 (5-Bromo-2-Chlorophenyl)(4-Fluorophenyl)Methanone 主要起始原料 Fluorobenzene And 5-Bromo-2-Chlorobenzoic Acid
• 21739-92-4 = 915095-85-1
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Fluorobenzene; Rt; 2 H,21 - 25 °C1.2 Catalysts: Aluminum Chloride; < 25 °C
  标题:A New Heterocyclic Compound: Crystal Structure And Anticancer Activity Against Human Lung Adenocarcinoma Cells
  作者:Shi,E. H.; Wang,L. R.; Zhao,S.; Shen,L.; Zhang,C. Y.; Et Al
  参考文献:Journal Of Structural Chemistry 日期:2020 卷标:61(7) 页码:1167-1174]
  
  21739-92-4 = 915095-85-1
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide; 15 Min,12 - 25 °C; 2 H,21 - 25 °C; 21 - 25 °C; 25 °C -> 0 °C1.2 Catalysts: Aluminum Chloride; < 25 °C; 1 H,23 - 25 °C1.3 Solvents: Water
  标题:Efficient Synthesis Of Empagliflozin,An Inhibitor Of Sglt-2,Utilizing An Alcl3-Promoted Silane Reduction Of A β-Glycopyranoside
  作者:Wang,Xiao-Jun; Zhang,Li; Byrne,Denis; Nummy,Larry; Weber,Dirk; Et Al
  参考文献:Organic Letters 日期:2014 卷标:16(16) 页码:4090-4093]
  
  21900-52-7 = 915095-85-1
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; Rt -> 0 °C; 0 °C; 0 °C -> Rt; 18 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Cooled
  标题:A Novel,Simple And Mild Route For Synthesis Of Dimer Impurities Of Gliflozins By Using Pd (Dba)2
  作者:Rane,Rajesh A.; Suryawanshi,Mugdha R.; Babhulkar,Gauri V.; Male,Rohit D.; Ketkale,Sneha B.; Et Al
  参考文献:European Journal Of Biomedical And Pharmaceutical Sciences 日期:2022 卷标:9(10) 页码:340-345]
  
  21900-52-7 = 915095-85-1
  反应条件:1.1 Catalysts: Aluminum Chloride; < 25 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 5 - 25 °C
  标题:An Efficient Synthesis For Empagliflozin (An Inhibitor Of Sglt-2)
  作者:Jayachandra,Sureshbabu; Sethi,Madhuresh Kumar; Kaushik,Vipin Kumar; Ravi,Vijaya Krishna; Pothani,Jayaram; Et Al
  参考文献:World Journal Of Pharmacy And Pharmaceutical Sciences 日期:2018 卷标:7(12) 页码:537-545

海关参考信息

• 2903919090-氯苯
  2912110000-甲醛
  2912210000-苯甲醛
  2914190090-其他无环酮
• 💡 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

专利信息

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