CAS: 96-30-0; 2-Chloro-N-Methylacetamide

• 英文名称2-Chloro-N-Methylacetamide
• 中文名称2-氯-N-甲基乙酰胺
• IUPAC名称2-chloro-N-methylacetamide
• 其它别名(转国产)2-氯-N-甲基乙酰胺; 2氯n甲基乙酰胺; Otava-Bb Bb7020410071; 2-Chloro-N-Methylacetamide
• CAS编号96-30-0
• MFCD编号:MFCD00018913
• EINECS号:202-497-1
• FDA UNII编号:2WW385P414
• 分子式:C3H6ClNO
• 分子量:107.54
• 产品CID: 2016928
• 产品分类有机原料→分子砌块→脂肪链类化合物

• 相似结构搜索
• InChIKey: HOZLOOPIXHWKCI-UHFFFAOYSA-N
• InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)…
• 计算化学: 氢键受体数1.0氢键供体数1可旋转键数1

相似化合物

物理性质

• 熔点38-40°C
• 沸点112-115 °C at 20 mmHg
• 闪点110.0±22.6 °C
• 密度1.1±0.1 g/cm3
• pKa:14.38±0.46(预测)
• PSA:29.1
• LogP:-0.0288
• 折射率1.426
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 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治疗自发免疫疾病和器官移植排斥.

MSDS等安全信息

• GHS象形图
• GHS符号GHS06;
  注释: Skull and crossbones
• 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
  严重眼刺激 类别2
  皮肤致敏 类别1B
  急性毒性 类别3(经口)
  皮肤致敏 类别1
  严重眼刺激 类别2A
• 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.
  H319 |造成严重眼刺激.
  H317 |可能引起皮肤过敏反应.
  H301 |吞咽会中毒.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志T+
• 包装等级Ⅲ
• 安全声明26-36/37/39-36/37-24
• 危险类别码36/37/38-43-22

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 2-Chloro-N-Methylacetamide 主要起始原料 Methylamine Hydrochloride And Chloroacetyl Chloride
• 79-04-9 = 96-30-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dichloromethane; 1 H,Rt; 1 H,Rt; 70 Min,Reflux1.2 Reagents: Water; 15 Min,Rt
  标题:4-Arylthieno[2,3-B]Pyridine-2-Carboxamides Are A New Class Of Antiplasmodial Agents
  作者:Schweda,Sandra I.; Alder,Arne; Gilberger,Tim; Kunick,Conrad
  参考文献:Molecules 日期:2020 卷标:25(14)]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Water; -15 °C; 5 H,-15 °C
  标题:Method For Preparing O,O-Dimethyl-S-(N-Methylcarbamyl Methyl)Thiophosphate
  参考文献:China]
  
  = 96-30-0
  反应条件:1.1 Solvents: Methanol; Rt -> -10 °C; -5 °C; 2 H,-5 °C
  标题:Synthesis Of 14C-Labeling Omethoate
  作者:She,Dongmei; Qu,Zhe; Huang,Qiliang; Li,Fengmin
  参考文献:Henong Xuebao 日期:2006 卷标:20(2) 页码:162-163]
  
  79-04-9 + 593-51-1 = 96-30-0
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Water; 1 H,Rt
  标题:Preparation Of Fused Pyrimidines As Glucose Uptake Inhibitors
  参考文献:World Intellectual Property Organization]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Water; 15 Min,10 °C; 30 Min,10 °C
  标题:Complexes Of Selected Late Period Lanthanide(Iii) Cations With 1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetraacetic Acid Amide (Dotam)-Alkyl Ligands - A New Platform For The Development Of Paramagnetic Chemical Exchange Saturation Transfer (Paracest) Magnetic Resonance Imaging (Mri) Contrast Agents
  作者:Elmehriki,Adam A. H.; Milne,Mark; Suchy,Mojmir; Bartha,Robert; Hudson,Robert H. E.
  参考文献:Canadian Journal Of Chemistry 日期:2013 卷标:91(3) 页码:211-219]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 0 °C; 24 H,0 °C
  标题:Continuous-Flow Electrosynthesis Of Benzofused S-Heterocycles By Dehydrogenative C-S Cross-Coupling
  作者:Huang,Chong; Qian,Xiang-Yang; Xu,Hai-Chao
  参考文献:Angewandte Chemie 日期:2019 卷标:58(20) 页码:6650-6653]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Water; -20 °C; 15 Min,-20 °C -> Rt1.2 Reagents: Hydrogen Ion Solvents: Water; Ph 5
  标题:Preparation Of Quinoline Derivatives As Protein Tyrosine Kinase Inhibitors
  参考文献:China]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Water; 0 °C; 0 °C -> 10 °C; 10 °C
  标题:Synthesis,Structure-Activity Relationships And Preliminary Antitumor Evaluation Of Benzothiazole-2-Thiol Derivatives As Novel Apoptosis Inducers
  作者:Wang,Zhao; Shi,Xuan-Hong; Wang,Jia; Zhou,Tian; Xu,You-Zhi; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2011 卷标:21(4) 页码:1097-1101]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Water; -20 °C; -20 °C -> 0 °C
  标题:An Atp-Selective,Lanthanide Complex Luminescent Probe
  作者:Liu,Xiao; Xu,Jun; Lv,Yinyun; Wu,Wenyu; Liu,Weisheng; Et Al
  参考文献:Dalton Transactions 日期:2013 卷标:42(27) 页码:9840-9846]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Dichloromethane,Tetrahydrofuran; 2 H,0 °C
  标题:Preparation Of Bicyclic Bridged Cycloalkane Derivatives As Atf4 Pathway Inhibitors For The Treatment Of Diseases
  参考文献:World Intellectual Property Organization]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Water; 0 - 5 °C; 1 H,0 - 5 °C
  标题:Salts Of Lumateperone And Processes For Preparation Thereof
  参考文献:India]
  
  105-39-5 = 96-30-0
  反应条件:1.1 Solvents: Water; 30 Min,-5 °C1.2 Solvents: Water; < Ph 5
  标题:Preparation Of N,N'-Bis[2,3-Dihydroxypropyl] -5-[(Hydroxyacetyl)Methylamino]-2,4,6-Triiodo-1,3-Benzene Dicarboxamide
  参考文献:World Intellectual Property Organization]
  
  = 96-30-0
  反应条件:1.1 Solvents: Ethanol; 10 - 15 Min,-5 °C; 2.5 H,< 0 °C
  标题:Synthesis Of N-Methyl-2-[4-(4-Chlorophenoxy)Phenoxy]Acetamide
  作者:Jiang,Yin; Wang,Hong; Gao,Yong-Hong
  参考文献:Huaxue Shijie 日期:2009 卷标:50(6) 页码:364-366]
  
  = 96-30-0
  反应条件:1.1 Solvents: Ethanol; Rt -> -5 °C; 10 - 15 Min,-5 °C; 2.5 H,< 0 °C; 0 °C -> 85 °C
  标题:Synthesis Of N-Methyl-2-(4-Phenoxyphenoxy)Acetamide
  作者:Jin,Dongyuan; Tao,Jianwei; Kang,Liqin; Gao,Yonghong; He,Xiangqi
  参考文献:Jingxi Huagong 日期:2007 卷标:24(9) 页码:927-929]
  
  593-51-1 = 96-30-0
  反应条件:1.1 Reagents: 1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Acetonitrile,Water; 30 Min,Rt
  标题:Amide Bond Formation In Aqueous Solution: Direct Coupling Of Metal Carboxylate Salts With Ammonium Salts At Room Temperature
  作者:Tung,Truong Thanh; Nielsen,John
  参考文献:Organic & Biomolecular Chemistry 日期:2021 卷标:19(46) 页码:10073-10080]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; 16 H,Rt
  标题:Cyanoindoline Derivatives As Nik Inhibitors And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Solvents: Water; -20 °C -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Indanylidenes. 1. Design And Synthesis Of (E)-2-(4,6-Difluoro-1-Indanylidene)Acetamide,A Potent,Centrally Acting Muscle Relaxant With Antiinflammatory And Analgesic Activity
  作者:Musso,David L.; Cochran,Felicia R.; Kelley,James L.; Mclean,Ed W.; Selph,Jeffrey L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2003 卷标:46(3) 页码:399-408]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Nitrogen And Sulphur Synthetic Organic Chemistry (Msc Thesis)
  作者:Harris,Philip
  参考文献:1986]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane; 20 Min,-10 °C
  标题:Investigation Of Flexibility Of Neuraminidase 150-Loop Using Tamiflu Derivatives In Influenza A Viruses H1N1 And H5N1
  作者:Zima,Vaclav; Albinana,Carlos Berenguer; Rojikova,Katerina; Pokorna,Jana; Pachl,Petr; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2019 卷标:27(13) 页码:2935-2947]
  
  79-04-9 = 96-30-0
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Acetonitrile; 0 °C
  标题:A Series Of 1,2,3-Triazole Compounds: Synthesis,Characterization,And Investigation Of The Cholinesterase Inhibitory Properties Via In Vitro And In Silico Studies
  作者:Tan,Ayse; Almaz,Zuleyha
  参考文献:Journal Of Molecular Structure 日期:2023 卷标:1277

海关参考信息

• 2912110000-甲醛
  2912120000-乙醛
  2903110000-一氯甲烷及氯乙烷
  2924199090-其他无环酰胺
• 💡 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

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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