CAS: 830-43-3; 4-(Trifluoromethyl)Benzenesulfonamide

• 英文名称4-(Trifluoromethyl)Benzenesulfonamide
• 中文名称4-(三氟甲基)苯磺胺
• IUPAC名称4-(trifluoromethyl)benzenesulfonamide
• 其它别名p-Toluenesulfonamide,a,a,a-trifluoro- (6CI,7CI,8CI); 4-(Trifluoromethyl)benzenesulfonamide; 4-(Trifluoromethyl)phenylsulfonamide; p-Trifluoromethylbenzenesulfonamide; a,a,a-Trifluoro-p-toluenesulfonamide
• CAS编号830-43-3
• MFCD编号:MFCD00159251
• EINECS号:212-596-1
• 分子式:C7H6F3NO2S
• 分子量:225.19
• 产品CID: 1819946
• 产品分类有机原料 → 烃类化合物及其衍生物 → 烃类磺化物

• 相似结构搜索
• InChIKey: TVHXQQJDMHKGGK-UHFFFAOYSA-N
• InChI=1S/C7H6F3NO2S/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13)…
• 计算化学: 氢键受体数6.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点175-180  °C(文献)
• 沸点304.8±52.0 °C at 760 mmHg
• 闪点138.1±30.7 °C
• 密度1.5±0.1 g/cm3
• pKa:9.68±0.10(预测)
• PSA:68.54
• LogP:1.24
• 折射率1.494
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Soluble In Methanol
• 敏感性常温常压下稳定，避免强氧化剂 接触
• 外观形态白色至几乎白色粉末至晶体
• 储存条件置于阴暗处,密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  皮肤腐蚀 类别1B
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H314 |造成严重皮肤灼伤和眼损伤.
• 防范说明P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明22-24/25-37-26
• 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

• 2991-42-6 = 830-43-3
  反应条件:1.1 Reagents: Ammonium Hydroxide; 3 - 4 H,0 °C
  标题:Unexpected C=n Bond Formation Via Nai-Catalyzed Oxidative De-Tetra-Hydrogenative Cross-Couplings Between N,N-Dimethyl Aniline And Sulfamides
  作者:Zheng,Yang; Et Al
  参考文献:Rsc Advances 日期:2015 卷标:5(62) 页码:50113-50117]
  
  1372629-25-8 = 830-43-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Toluene; 3 H,80 °C1.2 Reagents: Sodium Carbonate Solvents: Water; Rt
  标题:Bronsted Acid Promoted N-Dealkylation Of N-Alkyl(Sulfon)Amides
  作者:Gu,Linghui; Et Al
  参考文献:Chemistryselect 日期:2021 卷标:6(33) 页码:8839-8842]
  
  1286478-99-6 = 830-43-3
  反应条件:1.1 Reagents: Dess-Martin Periodinane Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol,Water; 0.5 H,40 °C
  标题:Hypervalent Organoiodine Promoted Dearylation Reaction Of N-Aryl Sulfonamides
  作者:Song,Mengmeng; Et Al
  参考文献:Youji Huaxue 日期:2020 卷标:40(8) 页码:2433-2441]
  
  = 830-43-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Copper Oxide (Cuo) Solvents: Dimethyl Sulfoxide; 8 H,100 °C
  标题:Cu(Ii)-Catalyzed Decarboxylation/elimination Of N-Arylsulfonyl Amino Acids To Primary Aryl Sulfonamides
  作者:Zhou,Liandi; Et Al
  参考文献:Synthetic Communications 日期:2016 卷标:46(15) 页码:1299-1306]
  
  657-70-5 = 830-43-3
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid,Sulfuric Acid,Phosphorus Oxychloride Solvents: Ethanol,Water
  标题:Synthesis And Hypoglycemic Activity Of Trifluoromethylated Sulfonylureas
  作者:Perron,Y. G.; Et Al
  参考文献:Journal Of Medicinal & Pharmaceutical Chemistry 日期:1961 卷标:4 页码:41-9]
  
  825-83-2 = 830-43-3
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Ammonia,Oxygen Catalysts: Iodine Solvents: Acetonitrile,Water; 16 H,Rt -> 100 °C; 100 °C -> Rt1.2 Reagents: Water; Rt
  标题:A General Iodine-Mediated Synthesis Of Primary Sulfonamides From Thiols And Aqueous Ammonia
  作者:Feng,Jian-Bo; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2016 卷标:14(29) 页码:6951-6954]
  
  46061-31-8 + 14874-70-5 = 830-43-3
  反应条件:1.1 Reagents: Triphenylphosphine,Sodium Pyrosulfite,Sodium Azide Catalysts: Tetrabutylammonium Bromide Solvents: Acetonitrile,Water; 12 H,80 °C
  标题:Metal-Free Construction Of Primary Sulfonamides Through Three Diverse Salts
  作者:Wang,Ming; Et Al
  参考文献:Green Chemistry 日期:2018 卷标:20(24) 页码:5469-5473]
  
  455-14-1 = 830-43-3
  反应条件:1.1 -2.1 Reagents: Triphenylphosphine,Sodium Pyrosulfite,Sodium Azide Catalysts: Tetrabutylammonium Bromide Solvents: Acetonitrile,Water; 12 H,80 °C
  标题:Metal-Free Construction Of Primary Sulfonamides Through Three Diverse Salts
  作者:Wang,Ming; Et Al
  参考文献:Green Chemistry 日期:2018 卷标:20(24) 页码:5469-5473]
  
  2991-42-6 = 830-43-3
  反应条件:1.1 Reagents: Ammonium Hydroxide Solvents: Water; 16 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; < Ph 9
  标题:Tetrahydropyridines Via Fecl3-Catalyzed Carbonyl-Olefin Metathesis
  作者:Rykaczewski,Katie A.; Et Al
  参考文献:Organic Letters 日期:2020 卷标:22(7) 页码:2844-2848]
  
  2991-42-6 = 830-43-3
  反应条件:1.1 Reagents: Ammonia Solvents: Dichloromethane; -78 °C
  标题:Identification Of The First Potent,Selective And Bioavailable Pparα Antagonist
  作者:Bravo,Yalda; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2014 卷标:24(10) 页码:2267-2272]
  
  778592-02-2 = 830-43-3
  反应条件:1.1 Reagents: Periodic Acid Solvents: Acetonitrile; 18 H,Rt
  标题:Novel N-Dealkylation Of N-Alkyl Sulfonamides And N,N-Dialkyl Sulfonamides With Periodic Acid Catalyzed By Chromium(Iii) Acetate Hydroxide
  作者:Xu,Liang; Et Al
  参考文献:Synlett 日期:2004 卷标:(11) 页码:1901-1904]
  
  455-24-3 = 830-43-3
  反应条件:1.1 Reagents: N-Chlorophthalimide,Sulfur Dioxide,Lithium Tetrafluoroborate,Pyridinium,1-Fluoro-2,4,6-Trimethyl-,Tetrafluoroborate(1-) (1:1) Catalysts: Tetrakis(Acetonitrile)Copper(1+) Tetrafluoroborate Solvents: Acetonitrile; 16 H,30 - 35 °C1.2 Reagents: Ammonium Hydroxide,Diisopropylethylamine Solvents: Water; 2 - 16 H,Rt
  标题:One-Pot Synthesis Of Sulfonamides From Unactivated Acids And Amines Via Aromatic Decarboxylative Halosulfonylation
  作者:Pedersen,P. Scott; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2023 卷标:145(39) 页码:21189-21196]
  
  128796-45-2 = 830-43-3
  反应条件:1.1 Reagents: α,α-Diphenyl-N-Sulfinylbenzenemethanamine; 2 H,160 °C; 160 °C -> Rt1.2 Reagents: Cesium Carbonate Catalysts: Dichloro[1,2-Di(Methoxy-Ko)Ethane]Nickel,4,4′-Dinonyl-2,2′-Bipyridine Solvents: 1,4-Dioxane; 16 H,80 °C; 80 °C -> Rt1.3 Reagents: Trichloroisocyanuric Acid; 20 Min,Rt1.4 Solvents: Water; 24 H,Rt1.5 Reagents: Methanesulfonic Acid; Rt; 30 Min,Rt1.6 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Nickel(Ii)-Catalyzed Addition Of Aryl And Heteroaryl Boroxines To The Sulfinylamine Reagent Trnso: The Catalytic Synthesis Of Sulfinamides,Sulfonimidamides And Primary Sulfonamides
  作者:Lo,Pui Kin Tony; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(38) 页码:15576-15581]
  
  89520-63-8 = 830-43-3
  反应条件:1.1 Reagents: Iodine; 20 Min,Rt1.2 Reagents: Ammonia Solvents: Ethanol,Water; 3 H,Rt
  标题:Sulfonamide Formation From Sodium Sulfinates And Amines Or Ammonia Under Metal-Free Conditions At Ambient Temperature
  作者:Yang,Kai; Et Al
  参考文献:Green Chemistry 日期:2015 卷标:17(3) 页码:1395-1399]
  
  2991-42-6 = 830-43-3
  反应条件:1.1 Solvents: Pyridine; 1 H,80 °C1.2 Reagents: Hydrochloric Acid Solvents: Water2.1 Reagents: Dess-Martin Periodinane Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol,Water; 0.5 H,40 °C
  标题:Hypervalent Organoiodine Promoted Dearylation Reaction Of N-Aryl Sulfonamides
  作者:Song,Mengmeng; Et Al
  参考文献:Youji Huaxue 日期:2020 卷标:40(8) 页码:2433-2441]
  
  128796-39-4 = 830-43-3
  反应条件:1.1 1 H,120 °C2.1 Reagents: α,α-Diphenyl-N-Sulfinylbenzenemethanamine; 2 H,160 °C; 160 °C -> Rt2.2 Reagents: Cesium Carbonate Catalysts: Dichloro[1,2-Di(Methoxy-Ko)Ethane]Nickel,4,4′-Dinonyl-2,2′-Bipyridine Solvents: 1,4-Dioxane; 16 H,80 °C; 80 °C -> Rt2.3 Reagents: Trichloroisocyanuric Acid; 20 Min,Rt2.4 Solvents: Water; 24 H,Rt2.5 Reagents: Methanesulfonic Acid; Rt; 30 Min,Rt2.6 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Nickel(Ii)-Catalyzed Addition Of Aryl And Heteroaryl Boroxines To The Sulfinylamine Reagent Trnso: The Catalytic Synthesis Of Sulfinamides,Sulfonimidamides And Primary Sulfonamides
  作者:Lo,Pui Kin Tony; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(38) 页码:15576-15581]
  
  62-57-7 + 2991-42-6 = 830-43-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3,Cooled2.1 Reagents: Oxygen Catalysts: Copper Oxide (Cuo) Solvents: Dimethyl Sulfoxide; 8 H,100 °C
  标题:Cu(Ii)-Catalyzed Decarboxylation/elimination Of N-Arylsulfonyl Amino Acids To Primary Aryl Sulfonamides
  作者:Zhou,Liandi; Et Al
  参考文献:Synthetic Communications 日期:2016 卷标:46(15) 页码:1299-1306

海关参考信息

• 2902300000-甲苯
  2903399090-其他无环烃卤化衍生物
• 💡 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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