CAS: 93919-56-3; (4-(Trifluoromethoxy)Phenyl)Methanamine

• 英文名称(4-(Trifluoromethoxy)Phenyl)Methanamine
• 中文名称4-(三氟甲氧基)苄胺
• IUPAC名称(4-(trifluoromethoxy)phenyl)methanamine
• 其它别名1-[4-(三氟甲氧基)苯基]甲胺; 4-(Trifluoromethoxy)Benzylamine
• CAS编号93919-56-3
• MFCD编号:MFCD00061237
• EINECS号:300-040-1
• 分子式:C8H8F3NO
• 分子量:191.15
• 产品CID: 1982536
• 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: DBGROTRFYBSUTR-UHFFFAOYSA-N
• InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

物理性质

• 沸点57-60 °C at 10 mmHg
• 闪点78°C
• 密度1.3±0.1 g/cm3
• pKa:8.75±0.10(预测)
• PSA:35.25
• LogP:2.0439
• 折射率1.471
• 蒸汽压1.3±0.3 mmHg at 25°C
• 敏感性空气敏感
• 外观形态透明无色至淡黄色液体
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C
• 产品应用该化合物用于化学合成.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  皮肤腐蚀 类别1B
  易燃液体 类别4
• 警示词Warning(警告)
• 危险描述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.
  H314 |造成严重皮肤灼伤和眼损伤.
  H227 |可燃液体
• 防范说明P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501
• 危险等级8
• UN编号UN2735
• 危险品标志Xi,C
• 风险等级Corrosive
• 包装等级III
• 安全声明26-36/37/39-37/39
• 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

• 332-25-2 = 93919-56-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Iron Oxide (Fe2O3),Iron Solvents: Isopropanol; 24 H,50 Bar,120 °C
  标题:Silica-Supported Fe/fe-O Nanoparticles For The Catalytic Hydrogenation Of Nitriles To Amines In The Presence Of Aluminium Additives
  作者:Chandrashekhar,Vishwas G.; Senthamarai,Thirusangumurugan; Kadam,Ravishankar G.; Malina,Ondrej; Kaslik,Josef; Et Al
  参考文献:Nature Catalysis 日期:2022 卷标:5(1) 页码:20-29]
  
  659-28-9 = 93919-56-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Nickel Solvents: Tert-Butanol; 24 H,25 - 27 Bar,120 °C
  标题:Reusable Nickel Nanoparticles-Catalyzed Reductive Amination For Selective Synthesis Of Primary Amines
  作者:Murugesan,Kathiravan; Beller,Matthias; Jagadeesh,Rajenahally V.
  参考文献:Angewandte Chemie 日期:2019 卷标:58(15) 页码:5064-5068]
  
  332-25-2 = 93919-56-3
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C; 3 H,Rt; Rt -> 0 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 0 °C; 15 Min,Rt
  标题:Preparation Of Inhibitors Of Indoleamine-2,3-Dioxygenase (Ido) For Treatment Of Cancer And Infectious Diseases
  参考文献:World Intellectual Property Organization]
  
  332-25-2 = 93919-56-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Potassium Tert-Butoxide,Cobalt(2+),(Acetonitrile)[3,7-Bis[2-(Diphenylphosphino-Kp)Ethyl]Octahydro-1,5-D... Solvents: Isopropanol; 16 H,30 Bar,90 °C
  标题:Cobalt-Catalyzed Hydrogenative Transformation Of Nitriles
  作者:Zhang,Shaoke; Duan,Ya-Nan; Qian,Yu; Tang,Wenyue; Zhang,Runtong; Et Al
  参考文献:Acs Catalysis 日期:2021 卷标:11(22) 页码:13761-13767]
  
  659-28-9 = 93919-56-3
  反应条件:1.1 Reagents: Ammonia Solvents: Trimethyl Orthoformate; 2 H,25 °C1.2 Reagents: Lithium Borohydride Solvents: Tetrahydrofuran; 5 H,65 °C1.3 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 25 °C
  标题:New Efficient Substrates For Semicarbazide-Sensitive Amine Oxidase/vap-1 Enzyme: Analysis By Sars And Computational Docking
  作者:Yraola,Francesc; Garcia-Vicente,Silvia; Fernandez-Recio,Juan; Albericio,Fernando; Zorzano,Antonio; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2006 卷标:49(21) 页码:6197-6208]
  
  = 93919-56-3 [标题:Reaction Conditions
  标题:A Dual Modulator Of Farnesoid X Receptor And Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis
  作者:Schmidt,Jurema; Rotter,Marco; Weiser,Tim; Wittmann,Sandra; Weizel,Lilia; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(18) 页码:7703-7724]
  
  = 93919-56-3 [标题:Reaction Conditions
  标题:Pyrazolo[1,5-A]Pyridine-3-Carboxamide Hybrids: Design,Synthesis And Evaluation Of Anti-Tubercular Activity
  作者:Lu,Xiaoyun; Tang,Jian; Cui,Shengyang; Wan,Baojie; Franzblauc,Scott G.; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2017 卷标:125 页码:41-48]
  
  = 93919-56-3 [标题:Reaction Conditions
  标题:Thiadiazines And Their Preparation And Use As Insecticidal And Acaricidal Agents
  参考文献:European Patent Organization]
  
  2268704-66-9 = 93919-56-3
  反应条件:1.1 Reagents: Sodium Hydroxide,Trans-4-Phenyl-3-Buten-2-One Catalysts: 2396595-28-9 Solvents: Toluene,Water; 4 H,90 °C1.2 Reagents: Acetic Acid; 5 H,90 °C; 90 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water; > 1 H,Rt1.4 Reagents: Potassium Carbonate Solvents: Water; Ph 11,Rt
  标题:Platinum-(Phosphinito-Phosphinous Acid) Complexes As Bi-Talented Catalysts For Oxidative Fragmentation Of Piperidinols: An Entry To Primary Amines
  作者:Membrat,Romain; Vasseur,Alexandre; Moraleda,Delphine; Michaud-Chevallier,Sabine; Martinez,Alexandre; Et Al
  参考文献:Rsc Advances 日期:2019 卷标:9(65) 页码:37825-37829]
  
  659-28-9 = 93919-56-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Cobalt Salophen Complex Solvents: Tetrahydrofuran,Water; 40 Bar; 5 - 7 Bar; 45 Bar; 135 °C; 24 H,120 °C
  标题:Ultra-Small Cobalt Nanoparticles From Molecularly-Defined Co-Salen Complexes For Catalytic Synthesis Of Amines
  作者:Senthamarai,Thirusangumurugan; Chandrashekhar,Vishwas G.; Gawande,Manoj B.; Kalevaru,Narayana V.; Zboril,Radek; Et Al
  参考文献:Chemical Science 日期:2020 卷标:11(11) 页码:2973-2981]
  
  332-25-2 = 93919-56-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: 1,1′-[2-[(Diphenylphosphino)Methyl]-2-Methyl-1,3-Propanediyl]Bis[1,1-Diphenylpho...,Methanesulfonic Acid,1,1,1-Trifluoro-,Nickel(2+) Salt (2:1) Solvents: 2,2,2-Trifluoroethanol; 16 H,40 Bar,120 °C
  标题:Nickel-Catalyzed Hydrogenative Coupling Of Nitriles And Amines For General Amine Synthesis
  作者:Chandrashekhar,Vishwas G.; Baumann,Wolfgang; Beller,Matthias; Jagadeesh,Rajenahally V.
  参考文献:Science (Washington 日期:2022 卷标:376(6600) 页码:1433-1441]
  
  332-25-2 = 93919-56-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Nickel Solvents: Methanol; 18 H,35 Bar,60 °C
  标题:Stable And Reusable Ni-Based Nanoparticles For General And Selective Hydrogenation Of Nitriles To Amines
  作者:Ma,Zhuang; Chandrashekhar,Vishwas G.; Zhou,Bei; Alenad,Asma M.; Rockstroh,Nils; Et Al
  参考文献:Chemical Science 日期:2022 卷标:13(36) 页码:10914-10922]
  
  659-28-9 = 93919-56-3
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Dichlorotris(Triphenylphosphine)Ruthenium Solvents: 2-Methyl-2-Butanol; 5 - 7 Bar; 40 Bar; 30 H,130 °C
  标题:Simple Ruthenium-Catalyzed Reductive Amination Enables The Synthesis Of A Broad Range Of Primary Amines
  作者:Senthamarai,Thirusangumurugan; Murugesan,Kathiravan; Schneidewind,Jacob; Kalevaru,Narayana V.; Baumann,Wolfgang; Et Al
  参考文献:Nature Communications 日期:2018 卷标:9(1) 页码:1-12]
  
  150162-39-3 = 93919-56-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol,Water; 15 Min,Rt; Rt -> 0 °C1.2 Reagents: Zinc; 0 °C; 1 H,80 - 90 °C
  标题:Effect Of Novel Triazole-Amino Acid Hybrids On Growth And Virulence Of Candida Species: In Vitro And In Vivo Studies
  作者:Aneja,Babita; Irfan,Mohammad; Kapil,Charu; Jairajpuri,Mohamad Aman; Maguire,Ronan; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2016 卷标:14(45) 页码:10599-10619]
  
  659-28-9 = 93919-56-3
  反应条件:1.1 Catalysts: Triphos,Borate(1-),Tetrafluoro-,Cobalt(2+) (2:1) Solvents: 2,2,2-Trifluoroethanol; 15 Min,Rt1.2 Reagents: Hydrogen,Ammonia; 24 H,40 Bar,120 °C
  标题:Homogeneous Cobalt-Catalyzed Reductive Amination For Synthesis Of Functionalized Primary Amines
  作者:Murugesan,Kathiravan; Wei,Zhihong; Chandrashekhar,Vishwas G.; Neumann,Helfried; Spannenberg,Anke; Et Al
  参考文献:Nature Communications 日期:2019 卷标:10(1) 页码:1-9

海关参考信息

• 2902300000-甲苯
  2905110000-甲醇
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
• 💡 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

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