CAS: 89-99-6; 2-Fluorobenzylamine

• 英文名称2-Fluorobenzylamine
• 中文名称2-氟苄胺
• IUPAC名称(2-fluorophenyl)methanamine
• 其它别名2-氟苯甲基胺; 2-Fluorobenzylamine
• CAS编号89-99-6
• MFCD编号:MFCD00008107
• EINECS号:201-957-9
• FDA UNII编号:R2RBT7FEJ7
• 分子式:C7H8FN
• 分子量:125.1435
• 产品CID: 1930334
• 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: LRFWYBZWRQWZIM-UHFFFAOYSA-N
• InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点245-246 °C
• 沸点185.9±0.0 °C at 760 mmHg
• 闪点67°C
• 密度1.1±0.1 g/cm3
• pKa:8?+-.0.10(预测)
• PSA:26.02
• LogP:1.2844
• 折射率1.523
• 蒸汽压0.7±0.3 mmHg at 25°C
• 敏感性空气敏感
• 外观形态透明无色至黄色液体
• 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合成和研究一系列替代螺旋丹通物的结构-活动关系.
• 性质描述密度1.09,沸点73-75°C(13毫米汞柱),折射率1.516-1.519,闪点67°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05;
  注释: Corrosion
• 危险类别皮肤腐蚀 类别1B
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  皮肤腐蚀 类别1C
  严重眼损伤 类别1
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H314 |造成严重皮肤灼伤和眼损伤.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H318 |造成严重眼损伤.
  H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
• 防范说明P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
• 危险等级8
• UN编号2735.0
• 危险品标志C,Xi,T
• 风险等级Irritant
• 包装等级Ⅱ
• 安全声明26-27-36/37/39-45
• 危险类别码34-20/21/22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 446-52-6 = 89-99-6
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Cobalt,Graphene Solvents: Methanol; 4 H,2 Mpa,90 °C
  标题:A General Synthesis Of Amines Via Cobalt Atoms Individually Anchored By Divacancy Sites On Graphene-Shelled Layers
  作者:Zhuang,Xiuzheng; Liu,Jianguo; Ji,Yangqi; Wu,Xiaojun; Zhang,Xinghua; Et Al
  参考文献:Chem Catalysis 日期:2023 卷标:3(8)]
  
  394-47-8 = 89-99-6
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Cobalt (Nitrogen-Doped Activated Carbon-Supported) Solvents: Methanol,Water; 6 H,1 Mpa,110 °C
  标题:Reductive Amination Of Carbonyl Compounds With Ammonia And Hydrogenation Of Nitriles To Primary Amines With Heterogeneous Cobalt Catalysts
  作者:Liu,Junmei; Guo,Wanwan; Sun,Hao; Li,Ruyue; Feng,Zhipeng; Et Al
  参考文献:Chemical Research In Chinese Universities 日期:2019 卷标:35(3) 页码:457-462]
  
  445-28-3 = 89-99-6
  反应条件:1.1 Reagents: Pinacolborane Catalysts: Tetracosa-μ3-Hydroxyoctakis(Methanol)Di-μ6-Oxoeicosakis(1,1,1-Trifluoro-2,4-Pent... Solvents: Toluene; Rt -> 110 °C; 24 H,110 °C
  标题:Lanthanide-Oxo Clusters For Efficient Catalytic Reduction Of Carboxamides
  作者:Weng,Zhen-Zhang; Chen,Chao-Long; Ye,Long-Wu; Long,La-Sheng; Zheng,Lan-Sun; Et Al
  参考文献:Science China: Chemistry 日期:2023 卷标:66(2) 页码:443-448]
  
  446-48-0 = 89-99-6 [标题:Reaction Conditions
  标题:Sodium Bisulfite Addition Compounds Of Benzyl Isothiocyanates: Evidence For Their Structure As Sodium Benzylaminothiomethanesulfonates
  作者:Sankaran,L.; Rao,P. L. Narasimha
  参考文献:Indian Journal Of Chemistry 日期:1977 卷标:(4) 页码:386-7]
  
  394-47-8 = 89-99-6
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Nickel,Silica Solvents: Methanol,Water; 6 H,10 Atm,120 °C
  标题:3-Fluorobenzonitrile
  作者:Hennrich,Gunther
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2006 卷标:1 页码:1-5]
  
  394-47-8 = 89-99-6
  反应条件:1.1 Reagents: Lithium Triethylborohydride Catalysts: (Tb-5-24)-[6-[[bis(1,1-Dimethylethyl)Phosphino-Kp]Methyl]-N-(1,1-Dimethylethyl)-... Solvents: Tetrahydrofuran; Rt; 45 Min,Rt1.2 Reagents: Sodium Ethoxide,Hydrogen Solvents: Benzene; 36 H,30 Bar,135 °C
  标题:Selective Hydrogenation Of Nitriles To Primary Amines Catalyzed By A Cobalt Pincer Complex
  作者:Mukherjee,Arup; Srimani,Dipankar; Chakraborty,Subrata; Ben-David,Yehoshoa; Milstein,David
  参考文献:Journal Of The American Chemical Society 日期:2015 卷标:137(28) 页码:8888-8891]
  
  446-52-6 = 89-99-6
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Cobalt (Graphene-Encapsulated) Solvents: Methanol; 4 H,2 Mpa,90 °C
  标题:Facile Manner In Regulating The Graphene-Shelled Structure Of Cobalt Nanoparticles For The Synthesis Of Amines
  作者:Zhuang,Xiuzheng; Liu,Jianguo; Ma,Longlong
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-15]
  
  394-47-8 = 89-99-6
  反应条件:1.1 Reagents: Hydrogen,Ammonia Catalysts: Nickel Solvents: Methanol; 12 H,Rt
  标题:Small Molecule Inhibitors Simultaneously Targeting Cancer Metabolism And Epigenetics: Discovery Of Novel Nicotinamide Phosphoribosyltransferase (Nampt) And Histone Deacetylase (Hdac) Dual Inhibitors
  作者:Dong,Guoqiang; Chen,Wei; Wang,Xia; Yang,Xinglin; Xu,Tianying; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(19) 页码:7965-7983]
  
  446-52-6 = 89-99-6
  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]
  
  = 89-99-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran; 12 H,100 °C
  标题:Palladium-Catalyzed Ortho-Selective C-H Fluorination Of Oxalyl Amide-Protected Benzylamines
  作者:Chen,Changpeng; Wang,Chao; Zhang,Jingyu; Zhao,Yingsheng
  参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(2) 页码:942-949]
  
  394-47-8 = 89-99-6
  反应条件:1.1 Reagents: Sodium Borohydride Catalysts: Cobalt (Covalent Organic Framework Supported) Solvents: Methanol; 3 H,Rt
  标题:Highly Stable Cof-Supported Co/co(Oh)2 Nanoparticles Heterogeneous Catalyst For Reduction Of Nitrile/nitro Compounds Under Mild Conditions
  作者:Mullangi,Dinesh; Chakraborty,Debanjan; Pradeep,Anu; Koshti,Vijay; Vinod,Chathakudath P.; Et Al
  参考文献:Small 日期:2018 卷标:14(37)]
  
  394-47-8 = 89-99-6
  反应条件:1.1 Reagents: Potassium Borohydride Catalysts: Cupric Chloride Solvents: Isopropanol,Water; 12 H,60 °C
  标题:Preparation And Characterization Of Primary Amines By Potassium Borohydride-Copper Chloride System From Nitriles
  作者:Jiang,Han; Hu,Jialei; Xu,Xinliang; Zhou,Yifeng
  参考文献:Asian Journal Of Chemistry 日期:2015 卷标:27(10) 页码:3564-3566]
  
  394-47-8 = 89-99-6
  反应条件:1.1 Catalysts: Potassium Tert-Butoxide,2921008-59-3 Solvents: Tetrahydrofuran; > 1 Min,Rt1.2 Reagents: Poly(Methylhydrosiloxane); Rt; 12 H,50 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; Rt; 3 H,Rt
  标题:Ligand-Metal Cooperativity In Quinonoid Based Nickel(Ii) And Cobalt(Ii) Complexes For Catalytic Hydrosilylative Reduction Of Nitriles To Amines: Electron Transfer And Mechanistic Insight
  作者:Paramanik,Krishnendu; Bandopadhyay,Nilaj; Sarkar,Gayetri; Chatterjee,Souvik; Roy,Suvojit; Et Al
  参考文献:Dalton Transactions 日期:2023 卷标:52(15) 页码:4964-4972]
  
  445-28-3 = 89-99-6
  反应条件:1.1 Reagents: Pinacolborane Catalysts: Bis[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-2,5-Diphenyl-1H-Imidazolium-4-Yl]Bis[μ... Solvents: Toluene; 12 H,40 °C1.2 Reagents: Sodium Hydroxide Solvents: Diethyl Ether; 1 H
  标题:Transition Metal-Free Catalytic Reduction Of Primary Amides Using An Abnormal Nhc Based Potassium Complex: Integrating Nucleophilicity With Lewis Acidic Activation
  作者:Bhunia,Mrinal; Sahoo,Sumeet Ranjan; Das,Arpan; Ahmed,Jasimuddin; P.,Sreejyothi; Et Al
  参考文献:Chemical Science 日期:2020 卷标:11(7) 页码:1848-1854

海关参考信息

• 2902300000-甲苯
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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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