CAS: 824-45-3; 2,5-Dimethylbenzyl Chloride

• 英文名称2,5-Dimethylbenzyl Chloride
• 中文名称2,5-二甲基苄基氯化物
• IUPAC名称2-(chloromethyl)-1,4-dimethylbenzene
• 其它别名2,5-二甲基氯苄; 2-(Chloromethyl)-1,4-Dimethyl-Benzen
• CAS编号824-45-3
• MFCD编号:MFCD00000902
• EINECS号:212-529-6
• FDA UNII编号:GG9MT2WWS6
• 分子式:C9H11Cl
• 分子量:154.64
• 产品CID: 1815246
• 产品分类有机原料→分子砌块→桥环类化合物→其它桥环类化合物

• 相似结构搜索
• 产品信息参考
• InChIKey: PECXPZGFZFGDRD-UHFFFAOYSA-N
• InChI=1S/C9H11Cl/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数7.0

相似化合物

物理性质

• 熔点-43.35 °C
• 沸点221-226 °C at 760 mmHg
• 闪点65.6±0.0 °C
• 密度1.0±0.1 g/cm3
• PSA:37.38
• LogP:3.154
• 折射率1.522
• 蒸汽压0.2±0.4 mmHg at 25°C
• 溶解性Insoluble
• 敏感性常温常压下稳定，避免强氧化剂 碱接触
• 外观形态无色至几乎无色透明液体
• 储存条件存储温度 2-8°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀 类别1B
  金属腐蚀物 类别1
  皮肤腐蚀 类别1C
  严重眼损伤 类别1
  易燃液体 类别4
• 警示词Danger(危险)
• 危险描述H335 |可能引起呼吸道刺激.
  H314 |造成严重皮肤灼伤和眼损伤.
  H290 |可能对金属造成腐蚀.
  H318 |造成严重眼损伤.
  H227 |可燃液体
• 防范说明P260-P261-P264-P271-P280-P301+P330+P331-P304+P340-P363-P405-P501
• 危险等级8
• UN编号3265.0
• 危险品标志C
• 包装等级Ⅱ
• 安全声明23-26-27-36/37/39-45-25
• 危险类别码34-36/37
• WGK Germany3

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 2,5-Dimethylbenzyl Chloride 主要起始原料 Formaldehyde And P-Xylene
• 53957-33-8 = 824-45-3
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 0 °C; 14 H,0 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Ir-Catalyzed Asymmetric And Regioselective Hydrogenation Of Cyclic Allylsilanes And Generation Of Quaternary Stereocenters Via The Hosomi-Sakurai Allylation
  作者:Rabten,Wangchuk; Et Al
  参考文献:Chemistry - A European Journal 日期:2018 卷标:24(7) 页码:1681-1685]
  
  53957-33-8 = 824-45-3
  反应条件:1.1 Reagents: Thionyl Chloride
  标题:Photocyclization Of α-(O-Tolyl)Acetophenones: Triplet And 1,5-Biradical Reactivity
  作者:Wagner,Peter J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1991 卷标:113(25) 页码:9630-9]
  
  = 824-45-3 [标题:Reaction Conditions
  标题:Aromatic Ketoethers. Condensation Products Of 4,4'-Dihydroxybenzophenone With Methylchloride Compounds
  作者:Iovu,Mircea; Et Al
  参考文献:Revistade Chimie (Bucharest 日期:1981 卷标:32(6) 页码:548-55]
  
  = 824-45-3
  反应条件:1.1 Reagents: Bromobenzene Solvents: Tetrahydrofuran
  标题:Benzylsamarium Complexes And Their Reactivity
  作者:Collin,J.; Et Al
  参考文献:Inorganica Chimica Acta 日期:1987 卷标:140(1-2) 页码:29-30]
  
  610-72-0 = 824-45-3
  反应条件:1.1 -2.1 Reagents: Thionyl Chloride
  标题:Photocyclization Of α-(O-Tolyl)Acetophenones: Triplet And 1,5-Biradical Reactivity
  作者:Wagner,Peter J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1991 卷标:113(25) 页码:9630-9]
  
  = 824-45-3 + 6298-72-2
  反应条件:1.1 Reagents: Hydrochloric Acid Catalysts: 1-Ethyl-3-Methylimidazolium Hexafluorophosphate Solvents: Water; 5 H,70 °C
  标题:An Experimental And Theoretical Study On Imidazolium-Based Ionic Liquid Promoted Chloromethylation Of Aromatic Hydrocarbons
  作者:Wang,Yun; Et Al
  参考文献:Journal Of The Chilean Chemical Society 日期:2013 卷标:58(4) 页码:2196-2199]
  
  53957-33-8 = 824-45-3
  反应条件:1.1 Reagents: Thionyl Chloride
  标题:New Approach To The Mechanism Of The Reaction Between Benzyl Grignard Reagents And Carbonyl Compounds
  作者:Bernardon,Claude; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1982 卷标:47(3) 页码:463-8]
  
  7093-91-6 = 824-45-3
  反应条件:1.1 Reagents: Iron Chloride (Fecl3)
  标题:Arylmethyl Isocyanates
  作者:Kozhushko,B. N.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1984 卷标:20(4) 页码:721-7]
  
  3972-56-3 + 80695-16-5 = 824-45-3
  反应条件:1.1 Solvents: Tetrahydrofuran2.1 Reagents: Bromobenzene Solvents: Tetrahydrofuran
  标题:Benzylsamarium Complexes And Their Reactivity
  作者:Collin,J.; Et Al
  参考文献:Inorganica Chimica Acta 日期:1987 卷标:140(1-2) 页码:29-30]
  
  = 824-45-3 + 6298-72-2
  反应条件:1.1 Reagents: Hydrochloric Acid Catalysts: Hexadecyltrimethylammonium Bromide Solvents: Water; 2 H1.2 Reagents: Hydrochloric Acid; 4 H,80 °C; Cooled1.3 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized
  标题:Chloromethylation Of Aromatic Compounds Catalyzed By Surfactant Micelles In Oil-Water Biphasic System
  作者:Liu,Qifa; Et Al
  参考文献:Catalysis Letters 日期:2009 卷标:131(3-4) 页码:485-493]
  
  = 824-45-3 + 6298-72-2
  反应条件:1.1 Reagents: Hydrochloric Acid Catalysts: 1-Ethyl-3-Methylimidazolium Tetrafluoroborate; 5 H,70 °C
  标题:[emim]Bf4-Promoted Chloromethylation Of Aromatic Hydrocarbons
  作者:Wang,Yun; Et Al
  参考文献:Synthetic Communications 日期:2006 卷标:36(20) 页码:3053-3059]
  
  = 824-45-3 + 6298-72-2
  反应条件:1.1 Reagents: Hydrochloric Acid Catalysts: Scandium Triflate Solvents: Water; 5 H,70 °C
  标题:Rare Earth Metal Triflates As Versatile Catalysts For The Chloromethylation Of Aromatic Hydrocarbons
  作者:Kishida,Toru; Et Al
  参考文献:Green Chemistry 日期:2004 卷标:6(1) 页码:57-62]
  
  = 824-45-3 + 824-55-5 + 102-46-5
  反应条件:1.1 Reagents: Carbon Tetrachloride Catalysts: Acetonitrile,Molybdenum Hexacarbonyl; 1 H,170 °C
  标题:Synthesis Of Benzyl Chlorides And Diarylmethanes Via Coupled Reactions Of Methylarenes With Carbon Tetrachloride In The Presence Of Manganese- And Molybdenum-Containing Catalysts
  作者:Khusnutdinov,R. I.; Et Al
  参考文献:Neftekhimiya 日期:2004 卷标:44(4) 页码:293-300]
  
  = 824-45-3 + 41381-35-5 + 824-55-5 + 31053-96-0 + 1746-26-5 + 102-46-5
  反应条件:1.1 Reagents: Chlorine Dioxide Solvents: Water; 1.75 H,Rt1.2 Reagents: Sodium Thiosulfate
  标题:Chlorination And Oxidation Products Formed From 1,2,4-Trimethylbenzene In Aqueous Solution Under The Action Of Chlorine Dioxide
  作者:Khasanova,Z. R.; Et Al
  参考文献:Russian Journal Of Applied Chemistry 日期:2007 卷标:80(7) 页码:1105-1110

海关参考信息

• 2902300000-甲苯
  2903110000-一氯甲烷及氯乙烷
• 💡 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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