CAS: 959-55-7; N-Benzyl-N,N-Dimethyloctan-1-Aminium Chloride

• 英文名称N-Benzyl-N,N-Dimethyloctan-1-Aminium Chloride
• 中文名称苄基二甲基辛基氯化铵
• IUPAC名称N-benzyl-N,N-dimethyloctan-1-aminium chloride
• 其它别名Ammonium, Benzyldimethyloctyl-, Chloride | Benzenemethanaminium, N,N-Dimethyl-N-Octyl-, Chloride | Benzyl-Dimethyl-Octylazanium
• CAS编号959-55-7
• MFCD编号:MFCD00050250
• EINECS号:213-502-1
• FDA UNII编号:OC19CZY82T
• 分子式:C17H30ClN
• 分子量:283.89
• 产品CID: 2014646
• 产品分类化学试剂 → 有机试剂 → 胺盐（铵盐）

• 相似结构搜索
• InChIKey: PXFDQFDPXWHEEP-UHFFFAOYSA-M
• InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数9.0

物理性质

• PSA:0.0
• LogP:1.6275
• 外观形态粉末
• 储存条件室温，充氩

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05 & GHS09;
  注释: Exclamation mark & Corrosion & Environment
• 危险类别急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  皮肤腐蚀 类别1B
  水生急性毒性 类别1
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H312 |皮肤接触有害.
  H302 |吞咽有害.
  H314 |造成严重皮肤灼伤和眼损伤.
  H400 |对水生生物毒性极大.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P260-P273-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
• UN编号UN 2923 8/PG 3
• 危险品标志C,N
• 安全声明36/37/39-45-61
• 危险类别码21/22-34-50
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 7378-99-6 = 959-55-7
  反应条件:1.1 Rt -> 60 °C; 1 H,60 °C
  标题:Process For Preparation Of Alkyldimethyl Benzylsulfobetaine In Solvent-Free System
  参考文献:China]
  
  = 959-55-7 [标题:Reaction Conditions
  标题:Synthesis And Antimicrobial Properties Of New Mandelate Ionic Liquids
  作者:Wisniewska,Anna; Lipinski,Piotr F. J.; Wozniak,Krzysztof; Sanjuan-Szklarz,Fabiola W.; Cieniecka-Roslonkiewicz,Anna; Et Al
  参考文献:Acta Poloniae Pharmaceutica 日期:2016 卷标:73(3) 页码:705-715]
  
  = 959-55-7 [标题:Reaction Conditions
  标题:Preparation Of Ammonium Salts And Related Compounds As Cationic Displacer Molecules For Hydrophobic Displacement Chromatography
  参考文献:World Intellectual Property Organization]
  
  = 959-55-7 [标题:Reaction Conditions
  标题:Synthesis Of Some Salts Of Quaternary Ammonium Bases
  作者:Stepanenko,B. N.; Ulitina,T. S.; Zelenkova,V. V.
  参考文献:Khimiko-Farmatsevticheskii Zhurnal 日期:1974 卷标:8(10) 页码:21-4]
  
  7378-99-6 = 959-55-7
  反应条件:1.1 Solvents: Ethyl Acetate; 5 H,Rt
  标题:First Evidence Of The Double-Bond Formation By Deoxydehydration Of Glycerol And 1,2-Propanediol In Ionic Liquids
  作者:Mascitti,Andrea; Scioli,Giuseppe; Tonucci,Lucia; Canale,Valentino; Germani,Raimondo; Et Al
  参考文献:Acs Omega 日期:2022 卷标:7(32) 页码:27980-27990]
  
  7378-99-6 = 959-55-7
  反应条件:1.1 Solvents: Dimethylformamide
  标题:Quaternization Reaction Of Some N,N-Dimethylalkylamines With Benzyl Chloride
  作者:Avram,Ecaterina
  参考文献:Revue Roumaine De Chimie 日期:2001 卷标:46(1) 页码:49-53]
  
  7378-99-6 = 959-55-7
  反应条件:1.1 Solvents: Acetonitrile; 5 H,50 °C
  标题:Preparation Of Aliphatic Alkyl Dimethyl Benzyl Quaternary Ammonium Salt
  参考文献:China]
  
  7378-99-6 = 959-55-7
  反应条件:1.1 7 D,50 °C
  标题:Ionic Liquids As Modulators Of Fragrance Release In Consumer Goods
  作者:Ferrero Vallana,Federico M.; Girling,Ricardo P.; Nimal Gunaratne,H. Q.; Holland,Lynette A. M.; Mcnamee,Pauline M.; Et Al
  参考文献:New Journal Of Chemistry 日期:2016 卷标:40(12) 页码:9958-9967]
  
  7378-99-6 = 959-55-7
  反应条件:1.1 Solvents: Tetrahydrofuran; 60 °C
  标题:Preparation Of Tetraalkylammonium Sulfonate As Ionic Liquids
  参考文献:World Intellectual Property Organization]
  
  7378-99-6 = 959-55-7
  反应条件:1.1 Solvents: Isopropanol; Rt -> 70 °C; 1 H,70 °C
  标题:Quaternary Ammonium Salt-Type Epoxy Resin Curing Accelerator And Preparation Method Thereof
  参考文献:China]
  
  = 959-55-7 [标题:Reaction Conditions
  标题:Synthesis Of Quaternary Ammonium Compounds And Evaluation Of Their Antimicrobial Activity
  作者:Gluzman,M. Kh.; Kivman,G. Ya.; Pogorelyi,E. I.; Bel'Skaya,M. N.; Rubtsova,V. P.; Et Al
  参考文献:Farmatsevtichnii Zhurnal (Kiev) 日期:1978 卷标:(1) 页码:53-6

海关参考信息

• 2902300000-甲苯
  2901100000-饱和无环烃
  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。
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专利信息

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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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• ➥ REACH监管