CAS: 79617-89-3; Cis-N-Methyl-4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Naphthalenamine Hydrochloride

• 英文名称Cis-N-Methyl-4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Naphthalenamine Hydrochloride
• 中文名称舍曲林碱
• 其它别名cis-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydr°Chloride
• CAS编号79617-89-3
• MFCD编号:MFCD00895772
• EINECS号:616-707-8
• 分子式:C17H17Cl2N.HCl
• 分子量:342.69
• 产品CID: 1790434

• 相似结构搜索
• InChIKey: BLFQGGGGFNSJKA-UHFFFAOYNA-N
• 1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1…
• 计算化学: 氢键受体数1.0氢键供体数2.0可旋转键数2.0

物理性质

• 熔点275-277 °C
• 沸点443.8 °C at 760 mmHg
• 闪点222.2 °C
• PSA:12.03
• LogP:6.3725
• 蒸汽压2.78E-08 mmHg at 25 °C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 储存条件2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别急性毒性 类别4(经口)
  水生急性毒性 类别1
  水生慢性毒性 类别1
  水生慢性毒性 类别3
  特定目标器官毒性-重复接触 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H412 |对水生生物有害并具有长期持续影响.
  H373 |长期或反复接触可能损害器官.
• 防范说明P264-P270-P273-P301+P312-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 危险类别码22-52/53

欧盟法规

上下游产品

合成工艺路线路线简述

• 79560-19-3 = 79617-89-3 [标题:Reaction Conditions
  标题:Nickel-Catalyzed α-Carbonylalkylarylation Of Vinylarenes: Expedient Access To γ,γ-Diarylcarbonyl And Aryltetralone Derivatives
  作者:Kc,Shekhar; Dhungana,Roshan K.; Khanal,Namrata; Giri,Ramesh
  参考文献:Angewandte Chemie 日期:2020 卷标:59(21) 页码:8047-8051]
  
  374778-34-4 = 79617-89-3
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran1.2 Reagents: Sodium Hydroxide,Water
  标题:The Preparation And Intra- And Intermolecular Addition Reactions Of Acyclic N-Acylimines: Application To The Synthesis Of (+/-)-Sertraline
  作者:Deninno,Michael P.; Eller,Cynthia; Etienne,John B.
  参考文献:Journal Of Organic Chemistry 日期:2001 卷标:66(21) 页码:6988-6993]
  
  209473-00-7 = 79617-89-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Methanol; 5 - 6 H,25 °C1.2 Reagents: Hydrochloric Acid Solvents: Ethanol; Rt
  标题:Improved Industrial Synthesis Of Antidepressant Sertraline
  作者:Vukics,Krisztina; Fodor,Tamas; Fischer,Janos; Fellegvari,Iren; Levai,Sandor
  参考文献:Organic Process Research & Development 日期:2002 卷标:6(1) 页码:82-85]
  
  329009-20-3 = 79617-89-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide; Rt -> 80 °C; 24 H,80 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; < Ph 7
  标题:Process For Preparation Of Racemic Sertraline
  参考文献:China

海关参考信息

• 2902600000-乙苯
  2903911000-邻二氯苯
  2903991000-对氯甲苯
  2921199090-其他无环单胺
• 💡 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