CAS: 939-99-1; 1-(Chloromethyl)-4-(Trifluoromethyl)Benzene

• 英文名称1-(Chloromethyl)-4-(Trifluoromethyl)Benzene
• 中文名称1-(氯甲基)-4-(三氟甲基)苯
• IUPAC名称1-(chloromethyl)-4-(trifluoromethyl)benzene
• 其它别名4三氟甲基苄氯
• CAS编号939-99-1
• MFCD编号:MFCD00040772
• EINECS号:627-519-0
• 分子式:C8H6ClF3
• 分子量:194.58
• 产品CID: 1985146
• 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
• 产品信息参考
• InChIKey: MCHDHQVROPEJJT-UHFFFAOYSA-N
• InChI=1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2…
• 计算化学: 氢键受体数0.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点19 °C
• 沸点68 °C at 12 mmHg
• 闪点73.89°C
• 密度1.3±0.1 g/cm3
• PSA:0.0
• LogP:3.4442
• 折射率1.457
• 蒸汽压0.8±0.3 mmHg at 25°C
• 敏感性催泪刺激性
• 外观形态无色至几乎无色透明液体
• 储存条件冰箱
• 产品应用该化合物用于合成新型的二氯甲酸酯系列,通过与N,N-代代二氯乙酸钠盐的反应.

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
  严重眼损伤 类别1
  严重眼刺激 类别2
  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.
  H319 |造成严重眼刺激.
  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
• 风险等级Corrosive/Lachrymatory
• 包装等级Ⅲ
• 安全声明23-26-27-36/37/39-45
• 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

• 349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Dichlorodiphenylmethane Catalysts: Iron Chloride (Fecl3) Solvents: Chloroform; 1 H,Rt
  标题:Ferric(Iii) Chloride Catalyzed Halogenation Reaction Of Alcohols And Carboxylic Acids Using α,α-Dichlorodiphenylmethane
  作者:Lee,Chang-Hee; Lee,Soo-Min; Min,Byul-Hana; Kim,Dong-Su; Jun,Chul-Ho
  参考文献:Organic Letters 日期:2018 卷标:20(8) 页码:2468-2471]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Thionyl Chloride; 0 °C; 5 Min,0 °C; 0 °C -> 70 °C; 1 H,70 °C1.2 Reagents: Sodium Bicarbonate; Basified
  标题:Triazole Derivative And Its Preparation Method,Application In Preparation Of Pesticide For Preventing Or Treating Crop Diseases Or Regulating Plant Growth
  参考文献:World Intellectual Property Organization]
  
  6140-17-6 = 939-99-1
  反应条件:1.1 Reagents: Chlorosuccinimide Catalysts: 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone,N-Hydroxyphthalimide Solvents: Acetonitrile; 16 H,80 °C
  标题:N-Hydroxyphthalimide/benzoquinone-Catalyzed Chlorination Of Hydrocarbon C-H Bond Using N-Chlorosuccinimide
  作者:Li,Zi-Hao; Fiser,Bela; Jiang,Biao-Lin; Li,Jian-Wei; Xu,Bao-Hua; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2019 卷标:17(13) 页码:3403-3408]
  
  455-24-3 = 939-99-1
  反应条件:1.1 Reagents: 1,1,3,3-Tetramethyldisiloxane,Cupric Chloride Catalysts: Gallium Chloride Solvents: 1,2-Dichloroethane; 5 H,Rt
  标题:Gallium-Catalyzed Reductive Chlorination Of Carboxylic Acids With Copper(Ii) Chloride
  作者:Sakai,Norio; Nakajima,Takumi; Yoneda,Shinichiro; Konakahara,Takeo; Ogiwara,Yohei
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(21) 页码:10619-10623]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 0 °C; 1 H,0 °C -> Rt
  标题:Nickel-Catalyzed Reductive Benzylation Of Tertiary Alkyl Halides With Benzyl Chlorides And Chloroformates
  作者:Wang,Jiabao; Gong,Yuxin; Sun,Deli; Gong,Hegui
  参考文献:Organic Chemistry Frontiers 日期:2021 卷标:8(12) 页码:2944-2948]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; Rt -> Reflux; 24 H,Reflux
  标题:Process For Preparing P-Trifluoromethyl Benzyl Chloride
  参考文献:China]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 0 °C; 1 H,Rt
  标题:Cu-Catalyzed Suzuki-Miyaura Reactions Of Primary And Secondary Benzyl Halides With Arylboronates
  作者:Sun,Yan-Yan; Yi,Jun; Lu,Xi; Zhang,Zhen-Qi; Xiao,Bin; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2014 卷标:50(75) 页码:11060-11062]
  
  = 939-99-1 [标题:Reaction Conditions
  标题:Structural Development Studies Of Ppars Ligands Based On Tyrosine Scaffold
  作者:De Filippis,Barbara; Linciano,Pasquale; Ammazzalorso,Alessandra; Di Giovanni,Carmen; Fantacuzzi,Marialuigia; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2015 卷标:89 页码:817-825]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dichloromethane; 1 - 4 H,Rt
  标题:Structure-Guided Optimization Of 1H-Imidazole-2-Carboxylic Acid Derivatives Affording Potent Vim-Type Metallo-β-Lactamase Inhibitors
  作者:Yan,Yu-Hang; Li,Wenfang; Chen,Wei; Li,Chao; Zhu,Kai-Rong; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2022 卷标:228]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Dimethylacetamide,Thionyl Chloride Solvents: Dichloromethane; Cooled; 45 Min,25 °C1.2 Reagents: Water Solvents: Dichloromethane; Cooled
  标题:An Efficient Dimethylacetamide-Promoted Conversion Of Alcohols To Alkyl Chlorides
  作者:Zheng,Dagui; Zhou,Anxi; Zhu,Xianhong; Zheng,Hongfu; Sun,Xiangqian
  参考文献:Youji Huaxue 日期:2016 卷标:36(1) 页码:137-142]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Chlorotrimethylsilane; Rt -> 55 °C; 6 H,55 °C
  标题:Green Preparation Of Chlorinated Compounds
  参考文献:China]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Tetrabutylammonium Iodide,Triphenylphosphine Solvents: 1,2-Dichloroethane; 0.5 H,120 °C
  标题:Halogenation Through Deoxygenation Of Alcohols And Aldehydes
  作者:Chen,Jia; Lin,Jin-Hong; Xiao,Ji-Chang
  参考文献:Organic Letters 日期:2018 卷标:20(10) 页码:3061-3064]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Benzotrichloride,Phenylsilane Catalysts: Trioctylphosphine; 24 H,100 °C
  标题:Organocatalytic Chlorination Of Alcohols By P(Iii)/p(V) Redox Cycling
  作者:Longwitz,Lars; Jopp,Stefan; Werner,Thomas
  参考文献:Journal Of Organic Chemistry 日期:2019 卷标:84(12) 页码:7863-7870]
  
  455-24-3 = 939-99-1
  反应条件:1.1 Reagents: Titanium Tetrachloride,Ammonia Borane Solvents: Diethyl Ether,1,2-Dichloroethane; 0 °C; 1 Min,0 °C; 24 H,Reflux; Rt -> 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 0 °C
  标题:Balancing Lewis Acidity And Carbocation Stability For The Selective Deoxyhalogenation Of Aryl Carbonyls And Carbinols
  作者:Ramachandran,P. Veeraraghavan; Alawaed,Abdulkhaliq A.; Hamann,Henry J.
  参考文献:Organic Letters 日期:2023 卷标:25(25) 页码:4650-4655]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide,Dichloromethane; 0 °C; 1 H,Rt
  标题:Site-Selective Carbonylation Of Arenes Via C(Sp2)-H Thianthrenation: Direct Access To 1,2-Diarylethanones
  作者:Zhang,Jiajun; Wang,Le-Cheng; Bao,Zhi-Peng; Wu,Xiao-Feng
  参考文献:Chemical Science 日期:2023 卷标:14(28) 页码:7637-7641]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 24 H,Rt -> Reflux
  标题:Method For Preparing 4-Trifluoromethyl-Benzyl Chloride
  参考文献:China]
  
  349-95-1 = 939-99-1
  反应条件:1.1 Reagents: Phosphorus Pentachloride Solvents: Toluene
  标题:Contributions To The Asymmetric Catalysis Of C-C Couplings,And To The Chemical Induction Of Cardiomyogenesis From Embryonic Stem Cells
  作者:Seelig,Bianca
  参考文献:2010]
  
  = 939-99-1 [标题:Reaction Conditions
  标题:Preparation Of Nitrogenous Heterocyclic Compounds As Hyperlipemia Remedies
  参考文献:World Intellectual Property Organization]
  
  = 939-99-1 [标题:Reaction Conditions
  标题:4-Trifluoromethylbenzyl Chloride: Preparation,Kinetics And Mechanism Of Its Change Into Bis(4-Trifluoromethylbenzyl) Ether In Alkaline Dioxane-Water Media
  作者:Riad,Y.; Gundermann,K. D.; Bardan,A. A. El
  参考文献:Egyptian Journal Of Chemistry 日期:1994 卷标:37(2) 页码:123-30

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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• ➥ 象形图和危险代码
• ➥ 防范代码详解
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