CAS: 90407-14-0; 7-Chlorobenzo[b]Thiophene

• 英文名称7-Chlorobenzo[b]Thiophene
• 中文名称7-氯苯并噻吩
• IUPAC名称7-chlorobenzo[b]thiophene
• 其它别名7-氯-苯并[b]噻吩; 7-Chloro-Benzo[b]Thiophene
• CAS编号90407-14-0
• MFCD编号:MFCD00130097
• EINECS号:835-425-8
• 分子式:C8H5ClS
• 分子量:168.64
• 产品CID: 1936856
• 产品分类有机原料→分子砌块→芳杂环类化合物→苯并噻吩类化合物

• 相似结构搜索
• InChIKey: GKWIITWUDNYXMG-UHFFFAOYSA-N
• InChI=1S/C8H5ClS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

物理性质

• 沸点115 °C(压力: 10 Torr)
• 密度1.349±0.06 g/cm3(预测)
• PSA:0.0
• LogP:3.5547
• 外观形态液体
• 储存条件2-8°C

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 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2A
• 警示词Warning
• 危险描述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-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
• 危险等级8
• UN编号1760.0
• 危险品标志Xn
• 包装等级Ⅲ

欧盟法规

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合成工艺路线路线简述

• 合成目标产物 7-Chloro-Benzo[b]Thiophene 主要起始原料 (2-Chlorophenyl)(2,2-Diethoxyethyl)Sulfane
• 90407-13-9 = 90407-14-0
  反应条件:1.1 Reagents: Hydrochloric Acid,Water Solvents: Ethanol,Water
  标题:7-Substituted Benzo[b]Thiophenes And 1,2-Benzisothiazoles. Part 2. Chloro And Nitro Derivatives
  作者:Rahman,Loay K. A.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1984 卷标:(3) 页码:385-90]
  
  936902-05-5 = 90407-14-0
  反应条件:1.1 Catalysts: Phosphoric Acid Solvents: Chlorobenzene; 12 H,130 °C
  标题:Direct Construction Of 2,3-Unsubstituted Benzofurans And Benzothiophenes Via A Metal-Free Catalyzed Intramolecular Friedel-Crafts Reaction
  作者:Ma,Weimin; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2019 卷标:6(4) 页码:493-497]
  
  90407-16-2 = 90407-14-0 [标题:Reaction Conditions
  标题:7-Substituted Benzo[b]Thiophenes And 1,2-Benzisothiazoles. Part 2. Chloro And Nitro Derivatives
  作者:Rahman,Loay K. A.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1984 卷标:(3) 页码:385-90]
  
  = 90407-14-0
  反应条件:1.1 Reagents: Hydrogen Sulfide
  标题:High-Temperature Organic Synthesis. Xlii. Reaction Of Haloarenes And 2-Chlorothiophene With Hydrogen Sulfide And Acetylene
  作者:Denyagina,E. N.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1993 卷标:29(11) 页码:2246-50]
  
  2032-35-1 + 6320-03-2 = 90407-14-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 1 H,60 °C1.2 6 H,Reflux2.1 Catalysts: Phosphoric Acid Solvents: Chlorobenzene; 12 H,130 °C
  标题:Direct Construction Of 2,3-Unsubstituted Benzofurans And Benzothiophenes Via A Metal-Free Catalyzed Intramolecular Friedel-Crafts Reaction
  作者:Ma,Weimin; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2019 卷标:6(4) 页码:493-497]
  
  3260-86-4 = 90407-14-0
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol2.1 Reagents: Hydrochloric Acid,Water Solvents: Ethanol,Water
  标题:7-Substituted Benzo[b]Thiophenes And 1,2-Benzisothiazoles. Part 2. Chloro And Nitro Derivatives
  作者:Rahman,Loay K. A.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1984 卷标:(3) 页码:385-90]
  
  90965-06-3 = 90407-14-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol,Tetrahydrofuran; 20 Min,0 °C; 19 H,Rt
  标题:Unexpected Formation Of 4,7-Dihalobenzo[b]Thiophenes Using Ohira-Bestmann Reagent And Reactivity Of The Halogen-Substituted Benzo[b]Thiophenes In Suzuki-Miyaura Coupling With Phenylboronic Acid
  作者:Toyota,Kozo; Et Al
  参考文献:Heterocycles 日期:2019 卷标:98(10) 页码:1355-1374]
  
  85070-48-0 + 34301-54-7 = 90407-14-0
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dimethylformamide; 1.5 H,0 °C1.2 Solvents: Dimethylformamide; 2 H,-40 °C2.1 Reagents: Potassium Carbonate Solvents: Methanol,Tetrahydrofuran; 20 Min,0 °C; 19 H,Rt
  标题:Unexpected Formation Of 4,7-Dihalobenzo[b]Thiophenes Using Ohira-Bestmann Reagent And Reactivity Of The Halogen-Substituted Benzo[b]Thiophenes In Suzuki-Miyaura Coupling With Phenylboronic Acid
  作者:Toyota,Kozo; Et Al
  参考文献:Heterocycles 日期:2019 卷标:98(10) 页码:1355-1374

海关参考信息

• 2903919090-氯苯
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