CAS: 87001-32-9; 4-(Benzyloxy)Benzenesulfonyl Chloride

• 英文名称4-(Benzyloxy)Benzenesulfonyl Chloride
• 中文名称4-(苄氧基)苯磺酰氯
• IUPAC名称4-(benzyloxy)benzenesulfonyl chloride
• 其它别名4-(苯基甲氧基)苯磺酰氯; 4-(Phenylmethoxy)Benzenesulfonyl Chloride
• CAS编号87001-32-9
• MFCD编号:MFCD04035557
• EINECS号:820-368-3
• 分子式:C13H11ClO3S
• 分子量:282.74
• 产品CID: 1874426
• 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: BRTDEKQMIKCPKH-UHFFFAOYSA-N
• InChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2…
• 计算化学: 氢键受体数3.0氢键供体数0可旋转键数4

物理性质

• 熔点0 °C
• 沸点0 °C at 760 mmHg
• 闪点212.0±21.8 °C
• 密度1.3±0.1 g/cm3
• PSA:43.37
• LogP:3.1931
• 折射率1.594
• 蒸汽压0.0±1.0 mmHg at 25°C
• 外观形态棕色糊状固体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS05;
  注释: Corrosion
• 危险类别金属腐蚀物 类别1
  皮肤腐蚀 类别1B
  严重眼损伤 类别1
  皮肤致敏 类别1
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H290 |可能对金属造成腐蚀.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H317 |可能引起皮肤过敏反应.
  H319 |造成严重眼刺激.
• 防范说明P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
• 危险等级8
• UN编号3261.0
• 包装等级Ⅲ
• 安全声明26-36/37/39-36/37
• 危险类别码34-43

欧盟法规

上下游产品

合成工艺路线路线简述

• 825-90-1 = 87001-32-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Isopropanol,Water; 20 H,75 °C2.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide; Rt; 5 Min,Rt2.2 Solvents: Water; 5 Min,0 °C
  标题:Fragment-Based Design,Synthesis,And Biological Evaluation Of 1-Substituted-Indole-2-Carboxylic Acids As Selective Mcl-1 Inhibitors
  作者:Wang,Ziqian; Et Al
  参考文献:Archiv Der Pharmazie (Weinheim 日期:2017 卷标:350(1)]
  
  825-90-1 = 87001-32-9
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; Rt -> -10 °C1.2 6 H,Rt1.3 Reagents: Ethyl Acetate; Rt2.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; 0 °C; 2 H,Rt
  标题:Fluorescent Non-Peptidic Rgd Mimetics With High Selectivity For αvβ3 Vs. αiibβ3 Integrin Receptor: Novel Probes For In Vivo Optical Imaging
  作者:Alsibai,Wael; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(23) 页码:9971-9982]
  
  5950-16-3 = 87001-32-9
  反应条件:1.1 Reagents: Phosphorus Pentachloride Solvents: Dichloromethane; 24 H,40 °C
  标题:Novel And Potent Anti-Malarial Agents
  作者:Brinner,Kristin M.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2002 卷标:10(11) 页码:3649-3661]
  
  5950-16-3 = 87001-32-9
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; 0 °C; 2 H,Rt
  标题:Fluorescent Non-Peptidic Rgd Mimetics With High Selectivity For αvβ3 Vs. αiibβ3 Integrin Receptor: Novel Probes For In Vivo Optical Imaging
  作者:Alsibai,Wael; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(23) 页码:9971-9982]
  
  111712-04-0 = 87001-32-9
  反应条件:1.1 Reagents: Phosphorus Pentachloride Solvents: Dichloromethane; 24 H,40 °C
  标题:Asymmetric Transfer Hydrogenation Of Ketones With A Polyethylene Glycol Bound Ru Catalyst In Water
  作者:Liu,Juntao; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2008 卷标:19(7) 页码:832-837]
  
  111712-04-0 = 87001-32-9
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; Rt; 5 Min,Rt1.2 Solvents: Water; 5 Min
  标题:Sulfone-Mediated Synthesis Of Substituted Furans On Solid Support
  作者:Arvanitis,Elena A.; Et Al
  参考文献:Arkivoc (Gainesville 日期:2002 卷标:(9) 页码:19-27]
  
  111712-04-0 = 87001-32-9
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide
  标题:Sulfone-Mediated Synthesis Of Heterocycles On Solid Support
  作者:Arvanitis,Elena Alexia
  参考文献:1999]
  
  94-02-0 = 87001-32-9
  反应条件:1.1 Reagents: Potassium Carbonate,Dibenzo-18-Crown-6 Solvents: Acetone; 48 H,Reflux2.1 Catalysts: Dimethylformamide Solvents: Thionyl Chloride; 0 °C; 2 H,60 °C
  标题:Preparation Of Polymer-Supported Ru-Tsdpen Catalysts And Use For Enantioselective Synthesis Of (S)-Fluoxetine
  作者:Li,Yangzhou; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2005 卷标:3(14) 页码:2513-2518

海关参考信息

• 2902300000-甲苯
  2905110000-甲醇
  2906210000-苄醇
  2908199090-其他酚的卤化衍生物
• 💡 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

专利信息

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