CAS: 824-80-6; Sodium 4-Fluorobenzenesulfinate

• 英文名称Sodium 4-Fluorobenzenesulfinate
• 中文名称对氟苯亚磺酸钠
• IUPAC名称sodium 4-fluorobenzenesulfinate
• 其它别名对氟亚磺酸钠; P-Fluorobenzenesulfinic Acid Sodium Salt Dehydrate
• CAS编号824-80-6
• MFCD编号:MFCD03093775
• EINECS号:700-029-5
• 分子式:C6H4FNaO2S
• 分子量:182.15
• 产品CID: 1815478
• 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: VDDUCRSPMBZLMH-UHFFFAOYSA-M
• InChI=1S/C6H5FO2S.Na/c7-5-1-3-6(4-2-5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点>250°C
• 沸点250 °C>>250 °C
• 闪点153.1 °C
• PSA:26.3
• LogP:0.9484
• 蒸汽压7.09E-05 mmHg at 25 °C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件惰性气氛,存放于冰箱中, -20°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 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2A
  严重眼刺激 类别2
• 警示词Warning(警告)
• 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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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 4-Fluorobenzenesulfinic Acid Sodium Salt 主要起始原料 4-Fluorobenzenesulfonyl Chloride
• 14874-70-5 + 91290-88-9 = 824-80-6
  反应条件:1.1 Reagents: Rongalite Catalysts: Iron Chloride (Fecl3) Solvents: Dimethylformamide,Acetonitrile; 20 Min,Rt
  标题:Iron-Catalyzed Synthesis Of Arylsulfinates Through Radical Coupling Reaction
  作者:Zhang,Weixi; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2016 卷标:52(14) 页码:2980-2983]
  
  = 824-80-6
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 5 Min,0 °C; 30 Min,Rt
  标题:Facile Access To Sodium Arylsulfinates Via Nucleophilic C-S Bond Cleavage Of 2-(Arylsulfonyl)Pyrimidines
  作者:Kwon,Yujeong; Et Al
  参考文献:Tetrahedron Letters 日期:2023 卷标:123]
  
  371-42-6 = 824-80-6
  反应条件:1.1 Reagents: Methyl Acrylate Catalysts: Sodium Acetate Solvents: Tetrahydrofuran,Water; 18 H,Rt1.2 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Rt1.4 Reagents: Sodium Hydroxide Solvents: Methanol,Dichloromethane; 0 °C
  标题:Amine-Catalyzed Copper-Mediated C-H Sulfonylation Of Benzaldehydes Via A Transient Imine Directing Group
  作者:Higham,Joe I.; Et Al
  参考文献:Angewandte Chemie 日期:2022 卷标:61(27)]
  
  50986-83-9 = 824-80-6
  反应条件:1.1 Rt
  标题:Base-Mediated C4-Selective C-H-Sulfonylation Of Pyridine
  作者:Friedrich,Marius; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2022 卷标:2022(34)]
  
  = 824-80-6
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; 0 °C -> Rt; 3 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt2.1 Reagents: Sodium Methoxide Solvents: Methanol; 5 Min,0 °C; 30 Min,Rt
  标题:Facile Access To Sodium Arylsulfinates Via Nucleophilic C-S Bond Cleavage Of 2-(Arylsulfonyl)Pyrimidines
  作者:Kwon,Yujeong; Et Al
  参考文献:Tetrahedron Letters 日期:2023 卷标:123]
  
  371-42-6 = 824-80-6
  反应条件:1.1 Reagents: Sodium Acetate Solvents: Tetrahydrofuran,Water; 18 H,Rt1.2 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Rt2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Dichloromethane; 0 °C
  标题:Copper Mediated C(Sp2)-H Sulfonylation Of Aldehydes Using A Catalytic Transient Imine Directing Group
  作者:Higham,Joe I.; Et Al
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-6]
  
  371-42-6 = 824-80-6
  反应条件:1.1 Reagents: Sodium Acetate Solvents: Tetrahydrofuran,Water; Overnight,Rt1.2 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Rt2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran; 0 °C
  标题:Copper Catalysed Oxidative α-Sulfonylation Of Branched Aldehydes Using The Acid Enhanced Reactivity Of Manganese(Iv) Oxide
  作者:Higham,Joe I.; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(33) 页码:4587-4590]
  
  17697-92-6 + 352-34-1 = 824-80-6
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Cuprous Iodide Solvents: N-Methyl-2-Pyrrolidone; 18 H,130 °C2.1 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; 0 °C -> Rt; 3 H,Rt2.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt3.1 Reagents: Sodium Methoxide Solvents: Methanol; 5 Min,0 °C; 30 Min,Rt
  标题:Facile Access To Sodium Arylsulfinates Via Nucleophilic C-S Bond Cleavage Of 2-(Arylsulfonyl)Pyrimidines
  作者:Kwon,Yujeong; Et Al
  参考文献:Tetrahedron Letters 日期:2023 卷标:123]
  
  349-88-2 = 824-80-6
  反应条件:1.1 Reagents: Sodium Bicarbonate,Sodium Sulfite Solvents: Water; 4 H,80 °C
  标题:Copper-Catalyzed Sulfinyl Cross-Coupling Reaction Of Sulfinamides
  作者:Kou,Mengting; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(46) 页码:8514-8519]
  
  349-88-2 = 824-80-6
  反应条件:1.1 Reagents: Sodium Bicarbonate,Sodium Sulfite Solvents: Water; 4 H,80 °C
  标题:Electrochemistry Enabled Nickel-Catalyzed Selective C-S Bond Coupling Reaction
  作者:Wang,Yang; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2022 卷标:2022(5)]
  
  460-00-4 = 824-80-6
  反应条件:1.1 Reagents: Magnesium,Iodine Solvents: Tetrahydrofuran; 1 H,100 °C1.2 Reagents: 1,4-Diazoniabicyclo[2.2.2]Octane,1,4-Disulfino-,Bis(Inner Salt); 0 °C; 3 H,0 °C; 0 °C -> Rt1.3 Reagents: Sodium Carbonate Solvents: Water; Rt1.4 Reagents: Sulfuric Acid Solvents: Water; Acidified,Cooled
  标题:Synthesis Of Sodium Aryl Sulfinates From Aryl Bromides Employing 1,4-Diazabicyclo[2.2.2]Octane Bis(Sulfur Dioxide) Adduct (Dabso) As A Bench-Stable,Gas-Free Alternative To So2
  作者:Skillinghaug,Bobo; Et Al
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(5) 页码:533-536]
  
  = 824-80-6
  反应条件:1.1 Reagents: 1,4-Diazoniabicyclo[2.2.2]Octane,1,4-Disulfino-,Bis(Inner Salt) Catalysts: Aluminum Chloride Solvents: 1,2-Dichloroethane; 3 H,25 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; 25 °C
  标题:Convenient Method For Preparation Of Aryl Sulfinates From Arenes And Dabso As The So2 Surrogates
  作者:Wang,Tianlei; Et Al
  参考文献:Tetrahedron Letters 日期:2018 卷标:59(13) 页码:1183-1187]
  
  371-42-6 = 824-80-6
  反应条件:1.1 Reagents: Methyl Acrylate,Sodium Acetate Solvents: Tetrahydrofuran,Water; Overnight,Rt1.2 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Rt1.4 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran; 0 °C
  标题:Copper Catalysed Oxidative α-Sulfonylation Of Branched Aldehydes Using The Acid Enhanced Reactivity Of Manganese(Iv) Oxide
  作者:Higham,Joe I.; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(33) 页码:4587-4590]
  
  371-42-6 = 824-80-6
  反应条件:1.1 Reagents: Potassium Chloride,Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Solvents: Water; 2 H,Rt2.1 Reagents: Sodium Bicarbonate,Sodium Sulfite Solvents: Water; 3 H,Reflux
  标题:The Photochemical Activity Of A Halogen-Bonded Complex Enables The Microfluidic Light-Driven Alkylation Of Phenols
  作者:Cuadros,Sara; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(16) 页码:2961-2966]
  
  1040311-61-2 = 824-80-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Dichloromethane; 0 °C
  标题:Copper Mediated C(Sp2)-H Sulfonylation Of Aldehydes Using A Catalytic Transient Imine Directing Group
  作者:Higham,Joe I.; Et Al
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-6]
  
  1040311-61-2 = 824-80-6
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran; 0 °C
  标题:Copper Catalysed Oxidative α-Sulfonylation Of Branched Aldehydes Using The Acid Enhanced Reactivity Of Manganese(Iv) Oxide
  作者:Higham,Joe I.; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(33) 页码:4587-4590]
  
  1765-93-1 = 824-80-6
  反应条件:1.1 Reagents: Triethylamine,1,4-Diazoniabicyclo[2.2.2]Octane,1,4-Disulfino-,Bis(Inner Salt) Catalysts: Dichlorotris(Triphenylphosphine)Ruthenium Solvents: Methanol-D4; 4 H,100 °C; 100 °C -> Rt
  标题:Synthesis Of Sulfones Via Ru(Ii)-Catalyzed Sulfination Of Boronic Acids
  作者:Gulbe,Krista; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(8) 页码:5660-5669]
  
  352-34-1 + 1765-93-1 = 824-80-6
  反应条件:1.1 Reagents: Boron Trifluoride Etherate,M-Chloroperbenzoic Acid Solvents: Dichloromethane; Rt1.2 Rt2.1 Reagents: Rongalite Catalysts: Iron Chloride (Fecl3) Solvents: Dimethylformamide,Acetonitrile; 20 Min,Rt
  标题:Iron-Catalyzed Synthesis Of Arylsulfinates Through Radical Coupling Reaction
  作者:Zhang,Weixi; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2016 卷标:52(14) 页码:2980-2983

专利信息

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