CAS: 94-64-4; 2-Chloro-N-Methylbenzylamine

• 英文名称2-Chloro-N-Methylbenzylamine
• 中文名称N-(2-氯苄基)-N-甲胺
• IUPAC名称1-(2-chlorophenyl)-N-methylmethanamine
• 其它别名(2-氯苯基)-N-甲基甲胺; Timtec-Bb Sbb010370
• CAS编号94-64-4
• MFCD编号:MFCD00013627
• EINECS号:202-350-1
• 分子式:C8H10ClN
• 分子量:155.63
• 产品CID: 1998170
• 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: DIWGZVQKFSFNLH-UHFFFAOYSA-N
• InChI=1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点0 °C
• 沸点206.9°C at 760 mmHg
• 闪点97°C
• 密度1.1±0.1 g/cm3
• pKa:9.01±0.10(预测)
• PSA:12.03
• LogP:2.0594
• 折射率1.532
• 蒸汽压0.2±0.4 mmHg at 25°C
• 敏感性空气敏感
• 外观形态淡黄色油状
• 储存条件请置于阴暗处, 惰性气氛中,室温
• 产品应用该化合物用于化学合成研究.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险等级8
• UN编号2735.0
• 危险品标志Xn,Xi
• 包装等级Ⅲ
• 安全声明26-36
• 危险类别码22-37/38-41
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 89-98-5 + 593-51-1 = 94-64-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 30 Min,Rt1.2 1 H,Rt; Rt -> 0 °C1.3 Reagents: Sodium Borohydride; 0 °C; 1 H,0 °C; 0 °C -> Rt; 2 H,Rt1.1 Reagents: Sodium Cyanoborohydride Solvents: Methanol1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Discovery Of A Highly Potent,Selective,And Metabolically Stable Inhibitor Of Receptor-Interacting Protein 1 (Rip1) For The Treatment Of Systemic Inflammatory Response Syndromeoxidations With Cerium(Iv) Sulfate: Intramolecular Cyclization Of N-Benzyl-β-Amino Ketones Yielding 4-Benzoyl-1,2,3,4-Tetrahydroisoquinolines
  作者:Ren,Yan; Et Al Holzgrabe,Ulrike
  参考文献:Journal Of Medicinal Chemistry 日期:2017 卷标:60(3) 页码:972-986]
  
  17972-08-6 = 94-64-4
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol; 0 - 5 °C; 20 H,Rt1.2 Reagents: Water; Rt
  标题:Cholinesterase Inhibitors: Sar And Enzyme Inhibitory Activity Of 3-[ω-(Benzylmethylamino)Alkoxy]Xanthen-9-Ones
  作者:Piazzi,Lorna; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2007 卷标:15(1) 页码:575-585]
  
  89-98-5 = 94-64-4
  反应条件:1.1 Reagents: Hydrochloric Acid,Sodium Cyanoborohydride Solvents: Methanol1.1 Reagents: Hydrochloric Acid,Sodium Cyanoborohydride Solvents: Methanol1.1 Solvents: Ethanol,Water; 40 °C; 2 H,0 - 5 °C2.1 Reagents: Sodium Borohydride Solvents: Ethanol; 0 - 5 °C; 20 H,Rt2.2 Reagents: Water; Rt
  标题:Reductive Aminations Of Carbonyl Compounds With Borohydride And Borane Reducing Agentssynthesis Of 2-Methyl-4-Phenyl-1,2,3,4-Tetrahydroisoquinolin-4-Ol Derivatives By A Novel Insertion Reaction Of Arylnickel Complexescholinesterase Inhibitors: Sar And Enzyme Inhibitory Activity Of 3-[ω-(Benzylmethylamino)Alkoxy]Xanthen-9-Ones
  作者:Baxter,Ellen W.; Et Al Kihara,Masaru; Et Al Piazzi,Lorna; Et Al
  参考文献:Organic Reactions (Hoboken 日期:2002 卷标:29(5) 页码:957-65]
  
  = 94-64-4 [标题:Reaction Conditions
  标题:Benzylamines: Synthesis And Evaluation Of Antimycobacterial Propertiesneuropharmacological Investigation Of N-Benzylsulfamides
  作者:Meindl,Wolfgang R.; Et Al Aeberli,Paul; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1984 卷标:27(9) 页码:1111-18]
  
  89-98-5 = 94-64-4 + 103-67-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Copper Alloy,Base,Cu 71,Pd 29 Solvents: Methanol; 1.5 H,7 Mpa,373 K
  标题:Heterogeneous Catalyzed Chemoselective Reductive Amination Of Halogenated Aromatic Aldehydes
  作者:Dumoleijn,Kim N. R.; Et Al
  参考文献:Chemcatchem 日期:2021 卷标:13(13) 页码:3021-3026]
  
  89-98-5 = 94-64-4
  反应条件:1.1 Solvents: Methanol; 60 Min,80 °C; Cooled1.2 Reagents: Hydrogen; 20 H,1.2 Mpa,343 K
  标题:Reductive Imino-Pinacol Coupling Reaction Of Halogenated Aromatic Imines And Iminium Ions Catalyzed By Precious Metal Catalysts Using Hydrogen
  作者:Dumoleijn,K. N. R.; Et Al
  参考文献:Journal Of Catalysis 日期:2021 卷标:400 页码:103-113

海关参考信息

• 2902300000-甲苯
  2903919090-氯苯
  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

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