CAS: 91-21-4; 1,2,3,4-Tetrahydroisoquinoline

• 英文名称1,2,3,4-Tetrahydroisoquinoline
• 中文名称1,2,3,4-四氢异喹啉
• IUPAC名称1,2,3,4-tetrahydroisoquinoline
• 其它别名四氢异喹啉; Isoquinoline, 1,2,3,4-Tetrahydro-
• CAS编号91-21-4
• MFCD编号:MFCD00006896
• EINECS号:202-050-0
• 分子式:C9H11N
• 分子量:133.19
• 产品CID: 1946972
• 产品分类有机原料→分子砌块→芳杂环类化合物→四氢异喹啉类化合物

• 相似结构搜索
• InChIKey: UWYZHKAOTLEWKK-UHFFFAOYSA-N
• InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点−30°C
• 沸点232-233°C at 760 mmHg
• 闪点99°C
• 密度1.0±0.1 g/cm3
• pKa:9.66±0.20(预测)
• PSA:12.03
• LogP:1.3323
• 折射率1.544
• 蒸汽压0.1±0.5 mmHg at 25°C
• 溶解性20G/l
• 外观形态透明黄色至棕色液体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用于4-(1,2)4-氧二氮醇-5-YL)-1-CARBOXAMIDINE-1-CORBOXAMIDES作为抗扩散管状抑制剂的制剂.
• 性质描述熔点 −30°C ,沸点 232-233°C,密度 1.064g/mLat 25°C,折光率 n 20/D 1.568

MSDS等安全信息

• GHS象形图
• GHS符号GHS06 & GHS08 & GHS05;
  注释: Skull and crossbones & Health hazard & Corrosion
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别2(经皮)
  急性毒性 类别3(经口)
  STOT SE 2
  皮肤腐蚀 类别1B
  严重眼损伤 类别1
  水生慢性毒性 类别3
  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
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H332 |吸入有害.
  H310 |皮肤接触致命.
  H301 |吞咽会中毒.
  H371 |可能损害器官.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H412 |对水生生物有害并具有长期持续影响.
  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.
• 防范说明P260-P261-P262-P264-P270-P271-P273-P280-P301+P330+P331-P302+P352-P304+P340-P330-P361+P364-P363-P405-P501
• 危险等级8 (6.1)
• UN编号2922.0
• 危险品标志Xi
• 风险等级Irritant
• 包装等级Ⅱ
• 安全声明26-36
• 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

• 119-65-3 = 91-21-4
  反应条件:1.1 Reagents: Hydrogen Catalysts: Cobalt Oxide (Co3O4) Solvents: Methanol; 15 H,120 °C
  标题:Cobalt Encapsulated In N-Doped Graphene Layers: An Efficient And Stable Catalyst For Hydrogenation Of Quinoline Compounds
  作者:Wei,Zhongzhe; Et Al
  参考文献:Acs Catalysis 日期:2016 卷标:6(9) 页码:5816-5822]
  
  14028-67-2 = 91-21-4
  反应条件:1.1 Reagents: Ethylenediamine,Ammonium Bromide; 5 H,70 °C
  标题:Microwave-Assisted Deacylation Of Unactivated Amides Using Ammonium-Salt-Accelerated Transamidation
  作者:Shimizu,Yuhei; Et Al
  参考文献:Angewandte Chemie 日期:2012 卷标:51(34) 页码:8564-8567]
  
  3230-65-7 = 91-21-4
  反应条件:1.1 Reagents: Sodium Hydrogen Telluride Solvents: Ethanol
  标题:A Mechanistic Approach To The Reaction Between Imines And Sodium Hydrogen Telluride
  作者:Barton,Derek H. R.; Et Al
  参考文献:Tetrahedron Letters 日期:1988 卷标:29(21) 页码:2571-4]
  
  3230-65-7 = 91-21-4
  反应条件:1.1 Reagents: Phosphonium,Butyltriphenyl-,Tetrahydroborate(1-)
  标题:Butyltriphenylphosphonium Tetraborate (Btpptb) As A Selective Reducing Agent For The Reduction Of Imines,Enamines And Oximes And Reductive Alkylation Of Aldehydes Or Ketones With Primary Amines In Methanol Or Under Solid-Phase Conditions
  作者:Hajipour,Abdol Reza; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2001 卷标:(2) 页码:152-156]
  
  54105-63-4 = 91-21-4
  反应条件:1.1 Reagents: Indium,Ammonium Chloride Solvents: Ethanol,Water; Rt; Rt; 6 H,Reflux
  标题:Indium-Mediated Reduction Of Hydroxylamines To Amines
  作者:Cicchi,Stefano; Et Al
  参考文献:Organic Letters 日期:2003 卷标:5(10) 页码:1773-1776]
  
  54105-63-4 = 91-21-4
  反应条件:1.1 Reagents: Titanium Chloride (Ticl3) Solvents: Methanol,Water
  标题:Titanium(Iii)-Induced Transformation Of Hydroxylamines To Imines Or Secondary Amines
  作者:Kodera,Yoichi; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1994 卷标:67(9) 页码:2542-9]
  
  119-65-3 = 91-21-4
  反应条件:1.1 Reagents: Aluminum Catalysts: Rhodium Solvents: Water; 1 H1.2 24 H,50 °C
  标题:Rh-Catalyzed Environmentally Benign Selective Hydrogenation Of A Broad Variety Of Functional Groups Using Al-Water As A Hydrogen Source
  作者:Xie,Guoshu; Et Al
  参考文献:Catalysts 日期:2022 卷标:12(12)]
  
  119-65-3 = 91-21-4
  反应条件:1.1 Reagents: Aluminum Catalysts: Palladium Solvents: Water; 1.5 H,90 °C
  标题:Pd/c-Al-Water Facilitated Selective Reduction Of A Broad Variety Of Functional Groups
  作者:Schafer,C.; Et Al
  参考文献:Green Chemistry 日期:2017 卷标:19(5) 页码:1230-1234]
  
  14028-67-2 = 91-21-4
  反应条件:1.1 Reagents: Hydrazine Hydrate (1:1),Ammonium Iodide Solvents: Ethanol; 48 H,60 °C
  标题:Cleavage Of Unactivated Amide Bonds By Ammonium Salt-Accelerated Hydrazinolysis
  作者:Shimizu,Yuhei; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2014 卷标:50(84) 页码:12623-12625]
  
  3230-65-7 = 91-21-4
  反应条件:1.1 Reagents: Hydrogen Catalysts: Divinylbenzene-Styrene Copolymer (Sulfonated),Iridium(1+),[(1,2,5,6-η)-1,5-Cyclooctadiene]Bis(1,3,5-Triaza-7-Phosphatricyclo[... Solvents: Water; 1 H,20 Bar,80 °C
  标题:Facile Heterogeneous Catalytic Hydrogenations Of C:N And C:O Bonds In Neat Water: Anchoring Of Water-Soluble Metal Complexes Onto Ion-Exchange Resins
  作者:Barbaro,Pierluigi; Et Al
  参考文献:Green Chemistry 日期:2012 卷标:14(11) 页码:3211-3219]
  
  54105-63-4 = 91-21-4
  反应条件:1.1 Reagents: Ammonium Chloride Catalysts: Indium Solvents: Ethanol,Water; 6 H,Reflux
  标题:On The Virtue Of Indium In Reduction Reactions. A Comparison Of Reductions Mediated By Indium And Zinc: Is Indium Metal An Effective Catalyst For Zinc Induced Reductions?
  作者:Matassini,Camilla; Et Al
  参考文献:European Journal Of Inorganic Chemistry 日期:2020 卷标:2020(11-12) 页码:1106-1113

海关参考信息

• 2902600000-乙苯
  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

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