CAS: 873-31-4; 1-Chloro-2-Ethynylbenzene

• 英文名称1-Chloro-2-Ethynylbenzene
• 中文名称1-氯-2-乙炔基苯
• IUPAC名称1-chloro-2-ethynylbenzene
• 其它别名2-氯苯乙炔; 1氯2乙炔基苯
• CAS编号873-31-4
• MFCD编号:MFCD00269951
• EINECS号:628-265-3
• 分子式:C8H5Cl分子量:136.58
• 产品CID: 1879660
• 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: DGLHLIWXYSGYBI-UHFFFAOYSA-N
• InChI=1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
• 计算化学: 氢键受体数*氢键供体数0可旋转键数0

物理性质

• 沸点190.6±23.0 °C at 760 mmHg
• 闪点70°C
• 密度1.1±0.1 g/cm3
• LogP:2.3213
• 折射率1.564
• 蒸汽压0.7±0.4 mmHg at 25°C
• 溶解性Soluble In Hexane.
• 敏感性常温常压下稳定
• 外观形态透明无色至黄色液体
• 储存条件2-8°C
• 产品应用该化合物用于合成4-(2-氯苯乙烯基)-3-甲基-5-苯氧代苯.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述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.
• 防范说明P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501
• 危险品标志Xi
• 风险等级Irritant/Keep Cold
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 105273-33-4 = 873-31-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 3 H,Rt
  标题:Visible-Light-Promoted Vinylation Of Tetrahydrofuran With Alkynes Through Direct C-H Bond Functionalization
  作者:Li,Jing; Et Al
  参考文献:Organic Letters 日期:2015 卷标:17(10) 页码:2522-2525]
  
  105273-33-4 = 873-31-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol
  标题:An Efficient And General Procedure For The Cross-Coupling Of Trimethylsilylacetylene And Vinylic,Aromatic Or Heteroaromatic Bromides
  作者:Brandsma,L.; Et Al
  参考文献:Synthetic Communications 日期:1990 卷标:20(12) 页码:1889-92]
  
  119450-02-1 = 873-31-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 1.0 Min1.2 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene; 1.0 Min
  标题:Synthesis Of (Z)-1-Bromo-1-Alkenes And Terminal Alkynes From Anti-2,3-Dibromoalkanoic Acids By Microwave-Induced Reaction
  作者:Kuang,Chunxiang; Et Al
  参考文献:Tetrahedron 日期:2005 卷标:61(16) 页码:4043-4052]
  
  119450-02-1 = 873-31-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide; 1 Min; Rt1.2 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene; 1 Min1.3 Solvents: Diethyl Ether,Water
  标题:A One-Pot Synthesis Of Terminal Alkynes From Anti-3-Aryl-2,3-Dibromopropanoic Acids Under Microwave Irradiation
  作者:Kuang,Chunxiang; Et Al
  参考文献:Chemistry Letters 日期:2005 卷标:34(1) 页码:28-29]
  
  401514-40-7 = 873-31-4
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: Dimethyl Sulfoxide; 12 H,115 °C
  标题:Cs2Co3-Mediated Synthesis Of Terminal Alkynes From 1,1-Dibromo-1-Alkenes
  作者:Zhao,Ming; Et Al
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(9) 页码:992-994]
  
  615-41-8 + 1066-54-2 = 873-31-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium; 18 H,Rt1.2 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 4 H,Rt
  标题:Regioselective Gold-Catalyzed Hydration Of Cf3- And Sf5-Alkynes
  作者:Cloutier,Melissa; Et Al
  参考文献:Organic Letters 日期:2019 卷标:21(10) 页码:3866-3870]
  
  24654-08-8 = 873-31-4
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Modes Of Action Of Phosphorus Pentachloride. Iii. Action On Acetylene Derivatives
  作者:Bergmann,Ernst; Et Al
  参考文献:Berichte Der Deutschen Chemischen Gesellschaft [abteilung] B: Abhandlungen 日期:1933 卷标:66 页码:278-86]
  
  = 873-31-4
  反应条件:1.1 Reagents: Hexachloroethane Solvents: Tetrahydrofuran1.2 Reagents: Oxonium
  标题:Hexachloroethane
  作者:Strekowski,Lucjan; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2014 卷标:1 页码:1-4]
  
  128-09-6 = 873-31-4 [标题:Reaction Conditions
  标题:Regiospecific Functionalization Of Unsaturated Compounds Via Their Dilithio Derivatives. Part Iii. Synthesis Of O-Halophenylacetylenes Via The Dianion Of Phenylacetylene
  作者:Hommes,H.; Et Al
  参考文献:Tetrahedron Letters 日期:1981 卷标:22(26) 页码:2495-6]
  
  89-98-5 + 21047-57-4 = 873-31-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 4 H,Rt
  标题:Palladium-Catalyzed Oxidative Annulation Leading To Substituted Pyrrolo[3,2,1-Jk]Carbazoles By Sequential C-N And C-C Bond Formation
  作者:Azizzade,Meysam; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(11) 页码:1823-1828]
  
  89-98-5 = 873-31-4
  反应条件:1.1 Reagents: Triphenylphosphine Solvents: Dichloromethane; 0 °C; 40 Min,Rt1.2 Reagents: Butyllithium Solvents: Tetrahydrofuran; -78 °C; 1 H,-78 °C; 2 H,Rt1.3 Reagents: Ammonium Chloride Solvents: Water
  标题:Palladium-Catalyzed Tandem C-H Functionalization/cyclization Strategy For The Synthesis Of 5-Hydroxybenzofuran Derivatives
  作者:Ichake,Sachin S.; Et Al
  参考文献:Organic Letters 日期:2017 卷标:19(1) 页码:54-57]
  
  89-98-5 = 873-31-4
  反应条件:1.1 Reagents: Triphenylphosphine Solvents: Dichloromethane; 60 Min,0 °C2.1 Reagents: Cesium Carbonate Solvents: Dimethyl Sulfoxide; 8 H,115 °C
  标题:One-Pot Copper-Catalyzed Three-Component Reaction Of Sulfonyl Azides,Alkynes And Allylamines To Access 2,3-Dihydro-1H-Imidazo[1,2-A]Indoles
  作者:Jin,Hongwei; Et Al
  参考文献:Synthesis 日期:2020 卷标:52(9) 页码:1417-1424]
  
  = 873-31-4 [标题:Reaction Conditions
  标题:Photothermal Oxidative Destruction Of Chloronaphthalene
  作者:Nimlos,Mark R.; Et Al
  参考文献:Environmental Science And Technology 日期:1994 卷标:28(5) 页码:816-22]
  
  694-80-4 + 1066-54-2 = 873-31-4
  反应条件:1.1 Reagents: Diisopropylamine Catalysts: Triphenylphosphine,Palladium Chloride,Cuprous Iodide; 1.5 H,60 °C; 60 °C -> 0 °C1.2 Reagents: Diisopropylamine; Overnight,60 °C2.1 Reagents: Potassium Carbonate Solvents: Methanol; 2 H,Rt2.2 Solvents: Water; Rt
  标题:The Synthesis Of [1,2,3]-Triazole-Based Bent Core Liquid Crystals Via Microwave-Mediated 'Click Reaction' And Their Mesomorphic Behaviour
  作者:Wang,Kunlun; Et Al
  参考文献:Liquid Crystals 日期:2019 卷标:46(2) 页码:257-271]
  
  694-80-4 + 1066-54-2 = 873-31-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran; Rt; 24 H,Rt2.1 Reagents: Potassium Carbonate Solvents: Methanol; 3 H,Rt
  标题:Aerobic Oxynitration Of Alkynes With Tbuono And Tempo
  作者:Dutta,Uttam; Et Al
  参考文献:Organic Letters 日期:2014 卷标:16(24) 页码:6302-6305]
  
  105273-33-4 = 873-31-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol; 2 H,Rt1.2 Solvents: Water; Rt
  标题:The Synthesis Of [1,2,3]-Triazole-Based Bent Core Liquid Crystals Via Microwave-Mediated 'Click Reaction' And Their Mesomorphic Behaviour
  作者:Wang,Kunlun; Et Al
  参考文献:Liquid Crystals 日期:2019 卷标:46(2) 页码:257-271]
  
  119450-02-1 = 873-31-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethyl Sulfoxide; 12 H,115 °C
  标题:Convenient Synthesis Of Terminal Alkynes From Anti-3-Aryl-2,3-Dibromopropanoic Acids Using A K2Co3/dmso System
  作者:Cheng,Xuezhi; Et Al
  参考文献:Chinese Journal Of Chemistry 日期:2011 卷标:29(11) 页码:2350-2354]
  
  401514-40-7 = 873-31-4
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride,Triphenylphosphine Solvents: Tetrahydrofuran,Water; 3 H,80 °C
  标题:An Efficient Method For The Production Of Terminal Alkynes From 1,1-Dibromo-1-Alkenes And Its Application In The Total Synthesis Of Natural Product Dihydroxerulin
  作者:Liu,Shihui; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2015 卷标:357(2-3) 页码:553-560]
  
  401514-40-7 = 873-31-4
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 2 H,-78 °C1.2 Reagents: Ammonium Chloride Solvents: Water; -78 °C
  标题:Intermolecular [2 + 2] Photocycloaddition Of α,β-Unsaturated Sulfones: Catalyst-Free Reaction And Catalytic Variants
  作者:Jeremias,Noah; Et Al
  参考文献:Organic Letters 日期:2021 卷标:23(15) 页码:5674-5678]
  
  19819-95-5 = 873-31-4
  反应条件:1.1 Reagents: Potassium Carbonate,Sulfonyl Fluoride Solvents: Dimethyl Sulfoxide; 2 H,Rt1.2 Reagents: Cesium Fluoride; Rt -> 100 °C; 2 H,100 °C; 100 °C -> Rt
  标题:So2F2-Mediated Oxidative Dehydrogenation And Dehydration Of Alcohols To Alkynes
  作者:Zha,Gao-Feng; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(50) 页码:17666-17673]
  
  2142-68-9 = 873-31-4
  反应条件:1.1 Reagents: Pyridine,Phosphorus Pentachloride (Pyridine-Supported); 210 S,110 °C
  标题:One-Step Synthesis Of Aromatic Terminal Alkynes From Their Corresponding Ketones Under Microwave Irradiation
  作者:Ghaffarzadeh,Mohammad; Et Al
  参考文献:Synthetic Communications 日期:2006 卷标:36(14) 页码:1973-1981]
  
  342652-04-4 = 873-31-4 [标题:Reaction Conditions
  标题:Simple Route From Aldehydes To Alkynes And 1-Chloro-1-Alkynes
  作者:Villieras,J.; Et Al
  参考文献:Synthesis 日期:1975 卷标:(7) 页码:458-61]
  
  615-41-8 + 1066-54-2 = 873-31-4
  反应条件:1.1 Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: 1,2-Dichloroethane; Rt; 4 H,40 °C2.1 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,Rt
  标题:Electrochemical Gold-Catalyzed 1,2-Difunctionalization Of C-C Multiple Bonds
  作者:Kumar,Anil; Et Al
  参考文献:Angewandte Chemie 日期:2023 卷标:62(37)]
  
  615-41-8 + 1066-54-2 = 873-31-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: 1,2-Dichloroethane; Rt; 4 H,40 °C2.1 Reagents: Potassium Carbonate Solvents: Methanol; 1 H,Rt
  标题:Electrochemical Gold-Catalyzed 1,2-Difunctionalization Of C-C Multiple Bonds
  作者:Kumar,Anil; Et Al
  参考文献:Chemrxiv 日期:2023 卷标:1 页码:1-6]
  
  = 873-31-4 [标题:Reaction Conditions
  标题:Regiospecific Functionalization Of Unsaturated Compounds Via Their Dilithio Derivatives. Part Iii. Synthesis Of O-Halophenylacetylenes Via The Dianion Of Phenylacetylene
  作者:Hommes,H.; Et Al
  参考文献:Tetrahedron Letters 日期:1981 卷标:22(26) 页码:2495-6]
  
  = 873-31-4
  反应条件:1.1 Catalysts: Hexachloroethane Solvents: Tetrahydrofuran
  标题:Hexachloroethane
  作者:Strekowski,Lucjan; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  187463-09-8 = 873-31-4 [标题:Reaction Conditions
  标题:Product Class 8: Linear Alkynes: Synthesis By Elimination
  作者:Sankararaman,S.
  参考文献:Science Of Synthesis 日期:2008 卷标:43 页码:435-467]
  
  = 873-31-4
  反应条件:1.1 Reagents: Cesium Fluoride; Rt -> 100 °C; 2 H,100 °C; 100 °C -> Rt
  标题:So2F2-Mediated Oxidative Dehydrogenation And Dehydration Of Alcohols To Alkynes
  作者:Zha,Gao-Feng; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(50) 页码:17666-17673]
  
  89-98-5 = 873-31-4
  反应条件:1.1 Reagents: Triphenylphosphine Solvents: Dichloromethane; 20 Min,0 °C; 10 Min,0 °C1.2 5 Min,0 °C; 40 Min,0 °C; 0 °C -> Rt; 40 Min,Rt2.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 2 H,-78 °C2.2 Reagents: Ammonium Chloride Solvents: Water; -78 °C
  标题:Intermolecular [2 + 2] Photocycloaddition Of α,β-Unsaturated Sulfones: Catalyst-Free Reaction And Catalytic Variants
  作者:Jeremias,Noah; Et Al
  参考文献:Organic Letters 日期:2021 卷标:23(15) 页码:5674-5678]
  
  694-80-4 + 1066-54-2 = 873-31-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium Solvents: Tetrahydrofuran; 25 °C; 24 H,25 °C2.1 Reagents: Potassium Carbonate Solvents: Methanol; 3 H,25 °C
  标题:Visible Light-Induced Deoxygenation/cyclization Of Salicylic Acid Derivatives And Aryl Acetylene For The Synthesis Of Flavonoids
  作者:Fan,Xiaodong; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2022 卷标:58(43) 页码:6348-6351]
  
  1066-54-2 = 873-31-4
  反应条件:1.1 Reagents: Diisopropylamine Catalysts: Cuprous Iodide,Dichlorobis(Triphenylphosphine)Palladium; 70 °C2.1 Reagents: Potassium Carbonate Solvents: Methanol; 12 H,Rt
  标题:Regio- And Stereoselective Dimerization Of Arylacetylenes And Optical And Electrochemical Studies Of (E)-1,3-Enynes
  作者:Morozov,Oleg S.; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2014 卷标:356(11-12) 页码:2671-2678

海关参考信息

• 2901292000-乙炔
  2902300000-甲苯
  2903919090-氯苯
• 💡 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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