CAS: 88139-91-7; 5-Bromo-2-Hydroxymethylpyridine

• 英文名称5-Bromo-2-Hydroxymethylpyridine
• 中文名称5-溴-2-吡啶甲醇
• IUPAC名称(5-bromopyridin-2-yl)methanol
• 其它别名5-Bromo-2-Hydroxymethyl Pyridine; 5-Bromo-2-Pyridine Methanol; H5Am7Uxn25; 5-Bromopyridine-2-Methanol; 5-Bromo-2-(Hydroxymethyl)Pyridine; 5-Br
• CAS编号88139-91-7
• MFCD编号:MFCD04035597
• EINECS号:618-116-0
• FDA UNII编号:H5AM7UXN25
• 分子式:C6H6BrNO
• 分子量:188.02
• 产品CID: 1890528
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• InChIKey: RUCZFWMEACWFER-UHFFFAOYSA-N
• InChI=1S/C6H6BrNO/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 熔点59-60°C
• 沸点0 °C at 760 mmHg
• 闪点115.4±23.2 °C
• 密度1.7±0.1 g/cm3
• pKa:13.09±0.10(预测)
• PSA:33.12
• LogP:1.3364
• 折射率1.599
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态白色至淡黄色至浅橙色粉末至晶体
• 储存条件惰性气氛,室温
• 产品应用该化合物用于生命科学研究.

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(吸入)
  急性毒性 类别4(经皮)
  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2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  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
• 危险等级IRRITANT
• 危险品标志Xn,Xi
• 安全声明22-26-36/37/39-36
• 危险类别码20/21/22-36/37/38-22

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 5-Bromo-2-Hydroxymethylpyridine 主要起始原料 5-Bromo-2-Methylpyridine
• 31181-74-5 = 88139-91-7
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,Rt
  标题:End-On And Side-On Peroxo Derivatives Of Non-Heme Iron Complexes With Pentadentate Ligands: Models For Putative Intermediates In Biological Iron/dioxygen Chemistry
  作者:Roelfes,Gerard; Et Al
  参考文献:Inorganic Chemistry 日期:2003 卷标:42(8) 页码:2639-2653]
  
  31181-64-3 = 88139-91-7
  反应条件:1.1 Reagents: Trifluoroacetic Anhydride; Rt; 0.5 H,Rt; 0.5 H,Reflux1.2 Reagents: Sodium Bicarbonate Solvents: Water; Ph 8,Rt; Overnight,Rt
  标题:Synthesis Of A Non-Heme Template For Attaching Four Peptides: An Approach To Artificial Iron(Ii)-Containing Peroxidases
  作者:Van Den Heuvel,Marco; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(2) 页码:250-262]
  
  31181-64-3 = 88139-91-7
  反应条件:1.1 Reagents: Acetic Anhydride; 12 H,90 °C1.2 Reagents: Potassium Hydroxide Solvents: Methanol; 0 °C; 3 H,Rt
  标题:Inhibition Of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase By Lipophilic Phosphonates: Sar,Qsar,And Crystallographic Studies
  作者:Deng,Lisheng; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2011 卷标:54(13) 页码:4721-4734]
  
  3430-13-5 = 88139-91-7
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Chloroform; 5 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water2.1 Reagents: Acetic Anhydride; 12 H,90 °C2.2 Reagents: Potassium Hydroxide Solvents: Methanol; 0 °C; 3 H,Rt
  标题:Inhibition Of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase By Lipophilic Phosphonates: Sar,Qsar,And Crystallographic Studies
  作者:Deng,Lisheng; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2011 卷标:54(13) 页码:4721-4734]
  
  624-28-2 = 88139-91-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Toluene,Hexane; -78 °C; 2 H,-78 °C1.2 1 H,-78 °C; -78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt1.4 Reagents: Sodium Borohydride Solvents: Methanol; Rt; 1 H,Rt1.5 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Tetrameric Cyclic Double Helicates As A Scaffold For A Molecular Solomon Link
  作者:Beves,Jonathon E.; Et Al
  参考文献:Angewandte Chemie 日期:2013 卷标:52(25) 页码:6464-6467]
  
  109-06-8 = 88139-91-7
  反应条件:1.1 Reagents: Aluminum Chloride,Bromine1.2 Reagents: Hydrochloric Acid1.3 Reagents: Sodium Bisulfite2.1 Reagents: M-Chloroperbenzoic Acid Solvents: Chloroform3.1 Reagents: Trifluoroacetic Anhydride3.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Structure-Activity Relationships In The 2-Arylcarbapenem Series. Synthesis Of 1-Methyl-2-Arylcarbapenems
  作者:Guthikonda,Ravindra Nath; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1987 卷标:30(5) 页码:871-80]
  
  30766-11-1 = 88139-91-7
  反应条件:1.1 Reagents: Triethylamine,Ethyl Chloroformate Solvents: Tetrahydrofuran; 0 °C1.2 Reagents: Sodium Borohydride Solvents: Water
  标题:Novel Bisphosphonate Inhibitors Of The Human Farnesyl Pyrophosphate Synthase
  作者:De Schutter,Joris W.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(19) 页码:5781-5786]
  
  624-28-2 = 88139-91-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Toluene1.2 -1.3 Reagents: Sodium Borohydride
  标题:Selective Monolithiation Of 2,5-Dibromopyridine With Butyllithium
  作者:Wang,Xin; Et Al
  参考文献:Tetrahedron Letters 日期:2000 卷标:41(22) 页码:4335-4338]
  
  31181-64-3 = 88139-91-7
  反应条件:1.1 Solvents: Acetic Anhydride; Overnight,90 °C1.2 Reagents: Sodium Carbonate Solvents: Water; Neutralized2.1 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,Rt
  标题:End-On And Side-On Peroxo Derivatives Of Non-Heme Iron Complexes With Pentadentate Ligands: Models For Putative Intermediates In Biological Iron/dioxygen Chemistry
  作者:Roelfes,Gerard; Et Al
  参考文献:Inorganic Chemistry 日期:2003 卷标:42(8) 页码:2639-2653

海关参考信息

• 2905110000-甲醇
  2933310010-吡啶
  2939800000-其他生物碱
• 💡 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

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管