CAS: 83647-43-2; (3-Bromo-2-Methylphenyl)Methanol

• 英文名称(3-Bromo-2-Methylphenyl)Methanol
• 中文名称3-溴-2-甲基苯甲醇
• IUPAC名称(3-bromo-2-methylphenyl)methanol
• 其它别名(3-溴-2-甲基苯基)甲醇; (3-Bromo-O-Tolyl)Methanol
• CAS编号83647-43-2
• MFCD编号:MFCD11847531
• EINECS号:112-305-7
• 分子式:C8H9BrO
• 分子量:201.06
• 产品CID: 1824772
• 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: XYDXDWXAAQXHLK-UHFFFAOYSA-N
• InChI=1S/C8H9BrO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5H2,1H3…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点101-104°C
• 沸点286.4±25.0 °C at 760 mmHg
• 闪点127.0±23.2 ºC,
• 密度1.481±0.06 g/cm3(预测)
• pKa:14.29±0.10(预测)
• PSA:20.23
• LogP:2.24982
• 外观形态淡米色至淡棕色结晶针状物
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于引信环化合物的PD-1/PD-L1抑制剂,其优点是高活性,高生物利用率,药物稳定性和口服.

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)
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

上下游产品

合成工艺路线路线简述

• 23876-13-3 = 83647-43-2
  反应条件:1.1 -2.1 Reagents: Dibromomethane,Nitrous Acid,Hydrogen Bromide
  标题:Preparation Of (Dihalovinyl)Benzyl Esters As Pesticides
  参考文献:Germany]
  
  76006-33-2 = 83647-43-2
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Benzene; Heated2.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether; 2 H,Reflux2.2 Reagents: Ethyl Acetate
  标题:Synthesis Of The Phenylpyridal Scaffold As A Helical Peptide Mimetic
  作者:Bourne,Gregory T.; Et Al
  参考文献:Chemistry - A European Journal 日期:2010 卷标:16(28) 页码:8439-8445]
  
  69321-60-4 = 83647-43-2
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 30 Min,-78 °C1.2 30 Min,-78 °C; 1 H,-78 °C -> 0 °C1.3 Reagents: Water2.1 Reagents: Sodium Borohydride Solvents: Tetrahydrofuran; 2 H,Rt; Rt -> 0 °C2.2 Reagents: Hydrochloric Acid Solvents: Water; 0 °C
  标题:Addition Of Fluorine And A Late-Stage Functionalization (Lsf) Of The Oral Serd Azd9833
  作者:Scott,James S.; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2020 卷标:11(12) 页码:2519-2525]
  
  83647-40-9 = 83647-43-2
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Tetrahydrofuran; 2 H,Rt; Rt -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 0 °C
  标题:Addition Of Fluorine And A Late-Stage Functionalization (Lsf) Of The Oral Serd Azd9833
  作者:Scott,James S.; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2020 卷标:11(12) 页码:2519-2525]
  
  103038-43-3 = 83647-43-2
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether; 2 H,Reflux1.2 Reagents: Ethyl Acetate
  标题:Synthesis Of The Phenylpyridal Scaffold As A Helical Peptide Mimetic
  作者:Bourne,Gregory T.; Et Al
  参考文献:Chemistry - A European Journal 日期:2010 卷标:16(28) 页码:8439-8445]
  
  83647-42-1 = 83647-43-2
  反应条件:1.1 Reagents: Dibromomethane,Nitrous Acid,Hydrogen Bromide
  标题:Preparation Of (Dihalovinyl)Benzyl Esters As Pesticides
  参考文献:Germany]
  
  76006-33-2 = 83647-43-2
  反应条件:1.1 Reagents: Pyridine,Thionyl Chloride Solvents: Methanol; 0 °C; 3 H,Reflux2.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C2.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Novel Biphenyl-Based Scaffold As Potent And Selective Histone Deacetylase 6 (Hdac6) Inhibitors: Identification,Development And Pharmacological Evaluation
  作者:Xu,Xi; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2022 卷标:233

海关参考信息

• 2902300000-甲苯
  2905110000-甲醇
  2906210000-苄醇
• 💡 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。
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管