CAS: 869725-53-1; 2-Bromo-5-(Trifluoromethyl)Benzyl Alcohol

• 英文名称2-Bromo-5-(Trifluoromethyl)Benzyl Alcohol
• 中文名称2-溴-5-三氟甲基苄醇
• IUPAC名称(2-bromo-5-(trifluoromethyl)phenyl)methanol
• 其它别名(2-溴-5-三氟甲基苯)甲醇; 2-Bromo-5-Trilfuoromethylbenzyl Alcohol
• CAS编号869725-53-1
• MFCD编号:MFCD04973761
• EINECS号:800-088-8
• 分子式:C8H6BrF3O
• 分子量:255.03
• 产品CID: 1873686
• 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: RXASTJJSPATSHH-UHFFFAOYSA-N
• InChI=1S/C8H6BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3,13H,4H2…
• 计算化学: 氢键受体数1.0氢键供体数1可旋转键数1

物理性质

• 熔点69-71°C
• 沸点262.6°C at 760 mmHg
• 闪点112.6±25.9 °C
• 密度1.7±0.1 g/cm3
• pKa:13.76±0.10(预测)
• PSA:20.23
• LogP:2.9602
• 折射率1.505
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态淡柠檬色结晶针状物
• 储存条件2-8°C(避光保存)

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/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
• 警示词Warning(警告)
• 危险描述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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT

欧盟法规

上下游产品

合成工艺路线路线简述

• 102684-91-3 = 869725-53-1
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Methanol; 10 Min,Rt
  标题:An Efficient Synthesis Of 4-Isochromanones Via Parham-Type Cyclization With Weinreb Amides
  作者:Wang,Chaolei; Et Al
  参考文献:Tetrahedron 日期:2015 卷标:71(42) 页码:8172-8177]
  
  102684-91-3 = 869725-53-1
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Methanol; 0 °C; 1 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Construction Of 2-Arylbenzo[4,5]Thieno[2,3-D]Thiazole Skeleton Via Cucl/s-Mediated Three-Component Reaction
  作者:Zhang,Wei; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(2) 页码:448-452]
  
  1483-56-3 = 869725-53-1
  反应条件:1.1 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: Tetrahydrofuran; 0 °C; 21 H,Rt1.2 Reagents: Methanol
  标题:Intermolecular Domino Reaction Of Two Aryl Iodides Involving Two C-H Functionalizations
  作者:Sickert,Marcel; Et Al
  参考文献:Angewandte Chemie 日期:2014 卷标:53(20) 页码:5147-5151]
  
  402-43-7 = 869725-53-1
  反应条件:1.1 Reagents: Acetic Acid,Iodine,Sulfuric Acid,Sodium Periodate Solvents: Acetic Anhydride,Water; 5 - 10 °C1.2 5 - 10 °C; 21 H,25 °C2.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -20 °C; 2 H,-20 °C2.2 Solvents: Tetrahydrofuran; 1 H,-20 °C
  标题:Synthesis Of Benzylisoquinoline Derivatives Possessing Electron-Withdrawing Substituents On The Benzene Ring Of The Isoquinoline Skeleton
  作者:Severin,Rene; Et Al
  参考文献:Heterocycles 日期:2007 卷标:74 页码:683-700]
  
  102684-91-3 = 869725-53-1
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Tetrahydrofuran; 1 H,0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 0 °C
  标题:Discovery Of Incb9471,A Potent,Selective,And Orally Bioavailable Ccr5 Antagonist With Potent Anti-Hiv-1 Activity
  作者:Xue,Chu-Biao; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2010 卷标:1(9) 页码:483-487]
  
  1483-56-3 = 869725-53-1
  反应条件:1.1 Reagents: Boron Trifluoride Etherate,Sodium Borohydride Solvents: Tetrahydrofuran; 30 Min,0 °C; Rt; Rt -> 0 °C1.2 Reagents: Water; 0 °C
  标题:Palladium-Catalyzed Cascade Heck-Type Cyclization And Reductive Aminocarbonylation For The Synthesis Of Functionalized Amides
  作者:Xu,Ren-Rui; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2022 卷标:20(13) 页码:2605-2608]
  
  1483-56-3 = 869725-53-1
  反应条件:1.1 Reagents: Iodine,Sodium Borohydride Solvents: Tetrahydrofuran; 0 °C; 0 °C; 0 °C -> Reflux; Reflux -> Rt1.2 Reagents: Methanol; Rt
  标题:Tbuok-Promoted Cyclization Of Imines With Aryl Halides
  作者:Li,Ya-Wei; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(11) 页码:4553-4556]
  
  1483-55-2 = 869725-53-1
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane,Hexane; Rt; 1 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; Cooled; 15 Min,Rt2.1 Reagents: Sodium Borohydride Solvents: Tetrahydrofuran; 1 H,0 °C2.2 Reagents: Sodium Bicarbonate Solvents: Water; 0 °C
  标题:Discovery Of Incb9471,A Potent,Selective,And Orally Bioavailable Ccr5 Antagonist With Potent Anti-Hiv-1 Activity
  作者:Xue,Chu-Biao; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2010 卷标:1(9) 页码:483-487]
  
  640280-28-0 = 869725-53-1
  反应条件:1.1 Solvents: Tetrahydrofuran
  标题:The Application Of The Titanium-Catalyzed Hydroamination Of Alkynes Toward The Synthesis Of Benzylisoquinoline Derivatives
  作者:Mujahidin,Didin
  参考文献:2006]
  
  640280-28-0 = 869725-53-1
  反应条件:1.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; -20 °C; 2 H,-20 °C1.2 Solvents: Tetrahydrofuran; 1 H,-20 °C
  标题:Synthesis Of Benzylisoquinoline Derivatives Possessing Electron-Withdrawing Substituents On The Benzene Ring Of The Isoquinoline Skeleton
  作者:Severin,Rene; Et Al
  参考文献:Heterocycles 日期:2007 卷标:74 页码:683-700]
  
  402-43-7 = 869725-53-1
  反应条件:1.1 Reagents: Iodine,Sulfuric Acid,Sodium Periodate Solvents: Acetic Acid,Acetic Anhydride,Water2.1 Solvents: Tetrahydrofuran
  标题:The Application Of The Titanium-Catalyzed Hydroamination Of Alkynes Toward The Synthesis Of Benzylisoquinoline Derivatives
  作者:Mujahidin,Didin
  参考文献:2006

海关参考信息

• 2902300000-甲苯
  2905110000-甲醇
  2906210000-苄醇
  2903399090-其他无环烃卤化衍生物
• 💡 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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