CAS: 97963-62-7; 5-(Difluoromethoxy)-1H-Benzo[d]Imidazole-2-Thiol

• 英文名称5-(Difluoromethoxy)-1H-Benzo[d]Imidazole-2-Thiol
• 中文名称5-(二氟甲氧基)-1,3-二氢-2H-苯并[d]咪唑-2-硫酮
• IUPAC名称5-(difluoromethoxy)-1H-benzo[d]imidazole-2-thiol
• 其它别名5-Difluoromethoxy-2-mecapto-1H-benzimidazole; 5-(Difluoromethoxy)-2-mercapto benzimidazole; 5-Difluoromethoxy-2- mercapto-1H-benzimidazole; 5-Difluoromethoxy-2-mercapto-1h-benzimidazole; 5-(Difluoromethoxy)-2-mercapto-1H-; 5-Difluormethoxy-2-Mercapto-1H-Benzinmidazole; 5-Difluromethoxy-2-Mercapto-1H-Benzimidazole; 2-Mercapto-5-difluoromethoxy benzimidazole; 5-Difluoromethoxy-1H-benzoimidazole-2-thiol; 5-Difuormethoxy-2-mercapto-1-H-benzinmidazole
• CAS编号97963-62-7
• MFCD编号:MFCD00467504
• EINECS号:619-308-7
• FDA UNII编号:39P59C89NV
• 分子式:C8H6F2N2OS
• 分子量:216.21
• 产品CID: 2023758
• 产品分类有机原料→分子砌块→芳杂环类化合物→苯并咪唑类化合物

• 相似结构搜索
• InChIKey: HJMVPNAZPFZXCP-UHFFFAOYSA-N
• InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数2.0

相似化合物

物理性质

• 熔点239-243°C
• 沸点303.5±52.0 °C at 760 mmHg
• 闪点172.1±30.1 °C
• 密度1.5±0.1 g/cm3
• pKa:9.77±0.30(预测)
• PSA:40.81
• LogP:2.82689
• 折射率1.644
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 敏感性常温常压下稳定，避免与强氧化剂接触。
• 外观形态淡黄色
• 储存条件密封干燥,冷冻保存, 低于 -20°C
• 产品应用潘托拉唑中间体.
• 性质描述白色或类白色结晶粉末.熔点253.0-259.0°C.

MSDS等安全信息

• GHS符号GHS07
• 危险类别水生慢性毒性 类别4
  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
  急性毒性 类别4(经口)
  特定目标器官毒性-重复接触 类别2
  水生慢性毒性 类别2
• 警示词Warning
• 危险描述H413 |可能对水生生物造成长期有害影响.
  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.
  H302 |吞咽有害.
  H373 |长期或反复接触可能损害器官.
  H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P261-P264-P271-P280-P302+P352
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36-36/37
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 97963-76-3 + 140-89-6 = 97963-62-7
  反应条件:1.1 Reagents: Hydrazine Catalysts: Nickel Solvents: Ethanol; 4 H,Reflux1.2 Solvents: Ethanol; 4 H,80 °C
  标题:Using Hydrazine Hydrate As A Reducer For The Synthesis Of 2-Mercapto-5-Difluoromethoxy-1H-Benzimidazole
  作者:Liu,De-Long; Wang,Su-Hui; Liu,Yun; Dai,Gui-Yuan
  参考文献:Xuzhou Shifan Daxue Xuebao 日期:2003 卷标:21(3) 页码:36-38]
  
  97963-76-3 + 140-89-6 = 97963-62-7
  反应条件:1.1 Reagents: Hydrazine,Nickel Solvents: Ethanol,Water; 0.5 H,50 - 60 °C; 5 H,Reflux1.2 5 H,Reflux1.3 Reagents: Hydrogen Ion Solvents: Water; 2 H,Ph 3,0 °C
  标题:Improvement On The Reduction Of Substituted O-Nitroaniline
  作者:Dai,Guiyuan; Liu,Delong; Liu,Yun; Hu,Tao
  参考文献:Huaxue Shijie 日期:2003 卷标:44(5) 页码:252-253]
  
  172282-50-7 = 97963-62-7
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; 3 H,Reflux1.2 Reagents: Acetic Acid Solvents: Water; Acidified,Heated
  标题:Synthesis Of Some Novel Bis Type 2-Mercapto Benzimidazole Derivatives
  作者:Heralagi,R. V.; Jayaveera,K. N.; Shivkumar,B.
  参考文献:Research Journal Of Pharmaceutical 日期:2012 卷标:3(2) 页码:407-414]
  
  97963-76-3 = 97963-62-7
  反应条件:1.1 Catalysts: Palladium Solvents: Methanol; Rt -> 50 °C1.2 Reagents: Hydrogen; 0.5 Mpa,50 °C1.3 Reagents: Sodium Hydroxide; Rt -> Reflux; 4 - 5 H,Reflux; Reflux -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4
  标题:Novel Synthetic Process Of 5-Difluoromethoxy-2-Mercapto-1H-Benzimidazole
  作者:Liu,Haijie; Wang,Qiufen; Wang,Yong
  参考文献:Jinan Daxue Xuebao 日期:2011 卷标:25(2) 页码:179-182]
  
  97963-76-3 + 140-89-6 = 97963-62-7
  反应条件:1.1 Reagents: Hydrazine Catalysts: Nickel Solvents: Ethanol; 4 H,Reflux1.2 4 H,Reflux1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 3
  标题:Improvement On The Synthesis Of 2-Mercapto-5-Difluoromethoxy-1-H-Benzimidazole
  作者:Dai,Gui-Yuan; Liu,De-Long; Liu,Yun; Wang,Su-Hui
  参考文献:Huaxue Shiji 日期:2004 卷标:26(2) 页码:101-102]
  
  172282-50-7 = 97963-62-7
  反应条件:1.1 Solvents: Ethanol; 5 H,60 °C
  标题:Cinnamide Derived Pyrimidine-Benzimidazole Hybrids As Tubulin Inhibitors: Synthesis,In Silico And Cell Growth Inhibition Studies
  作者:Sana,Sravani; Reddy,Velma Ganga; Srinivasa Reddy,T.; Tokala,Ramya; Kumar,Rahul; Et Al
  参考文献:Bioorganic Chemistry 日期:2021 卷标:110]
  
  172282-50-7 = 97963-62-7
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; 30 Min,Reflux1.2 Reagents: Acetic Acid Solvents: Water; Ph 4
  标题:Synthesis Of (S)-(-) Pantoprazole Sodium And Magnesium
  作者:Li,Jing; Li,Rong-Dong; Liu,Lei
  参考文献:Guangzhou Huagong 日期:2016 卷标:44(6) 页码:58-59

海关参考信息

• 2905110000-甲醇
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
  2918290000-其他含酚基羧酸
• 💡 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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