CAS: 85-47-2; 1-Naphthalenesulfonic Acid

• 英文名称1-Naphthalenesulfonic Acid
• 中文名称1-萘磺酸
• IUPAC名称naphthalene-1-sulfonic acid
• 其它别名1-奈磺酸 85-47-2; Naphthalene-1-Sulphonic Acid
• CAS编号85-47-2
• MFCD编号:MFCD00003987
• EINECS号:201-610-1
• 分子式:C10H8O3S
• 分子量:208.24
• 产品CID: 1851202
• 产品分类有机原料→分子砌块→芳环类化合物→萘类化合物

• 相似结构搜索
• InChIKey: PSZYNBSKGUBXEH-UHFFFAOYSA-N
• InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 熔点77-79 °C
• 沸点317.43 °C at 760 mmHg
• 闪点380.2 °C
• 密度1.4±0.1 g/cm3
• pKa:0.17±0.10(预测)
• PSA:54.37
• LogP:2.0865
• 折射率1.670
• 蒸汽压7.23E-21 mmHg at 25 °C
• 溶解性Alcohol: Freely Soluble
• 敏感性棱柱状白色结晶，从稀盐酸中重结晶含2分子结晶水。熔点90°C（水合物），139-140°C（无水物）。易溶于水和乙醇，微溶于乙醚。
• 外观形态白色至类白色固体
• 储存条件密封, 常温干燥保存
• 产品应用用于制造1-萘酚,1-萘酚磺酸,1-萘胺磺酸等中间体.
• 性质描述棱柱状白色结晶,从稀盐酸中重结晶含2分子结晶水.熔点90°C(水合物),139-140°C(无水物).易溶于水和乙醇,微溶于乙醚.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05;
  注释: Corrosion
• 危险类别皮肤腐蚀 类别1B
  严重眼损伤 类别1
• 警示词Danger(危险)
• 危险描述H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
• 防范说明P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501
• 危险等级8
• UN编号3261.0
• 危险品标志C,F
• 包装等级Ⅱ
• 安全声明26-36/37/39-45-28A-16
• 危险类别码34-11-35
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 90-14-2 = 85-47-2
  反应条件:1.1 Reagents: Cesium Carbonate,Thiourea Dioxide Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Dimethyl Sulfoxide; 14 H,100 °C
  标题:Sustainable Access To Sulfonic Acids From Halides And Thiourea Dioxide With Air
  作者:Zhang,Hui; Et Al
  参考文献:Green Chemistry 日期:2020 卷标:22(23) 页码:8238-8242]
  
  120-18-3 = 85-47-2
  反应条件:1.1 Reagents: Water Solvents: Water2.1 Reagents: Sulfuric Acid
  标题:Kinetics Of Naphthalene Sulfonation In Sulfuric Acid Solutions
  作者:Serwinski,Mieczyslaw; Et Al
  参考文献:Inzynieria Chemiczna I Procesowa 日期:1987 卷标:8(1) 页码:81-90]
  
  = 85-47-2 + 120-18-3
  反应条件:1.1 Reagents: Sulfuric Acid; Rt -> 150 °C; 150 °C -> 165 °C; 2.5 H,165 °C
  标题:Research On The Key Technology Of Polynaphthalene Sulphonate Preparation
  作者:Li,Yun
  参考文献:Advanced Materials Research (Zuerich 日期:2011 卷标:217 页码:217-218]
  
  = 85-47-2 + 294-90-6
  反应条件:1.1 Solvents: Water-D2; 1 H,Ph 7.4,25 °C
  标题:Photolysis Of The Sulfonamide Bond Of Metal Complexes Of N-Dansyl-1,4,7,10-Tetraazacyclododecane In Aqueous Solution: A Mechanistic Study And Application To The Photorepair Of Cis,Syn-Cyclobutane Thymine Photodimer
  作者:Aoki,Shin; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2009 卷标:4(4) 页码:561-573]
  
  = 85-47-2 + 120095-33-2
  反应条件:1.1 Solvents: Water-D2; 1 H,Ph 7.4,25 °C
  标题:Photolysis Of The Sulfonamide Bond Of Metal Complexes Of N-Dansyl-1,4,7,10-Tetraazacyclododecane In Aqueous Solution: A Mechanistic Study And Application To The Photorepair Of Cis,Syn-Cyclobutane Thymine Photodimer
  作者:Aoki,Shin; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2009 卷标:4(4) 页码:561-573]
  
  = 85-47-2 + 791-28-6
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Chloroform2.1 Reagents: Sodium Ethoxide Solvents: Water
  标题:Effect Of The Triphenylphosphonium Group On Electrophilic Substitution In The Naphthalene Series
  作者:Bukachuk,O. M.; Et Al
  参考文献:Zhurnal Obshchei Khimii 日期:1986 卷标:56(8) 页码:1789-94]
  
  = 85-47-2 + 81-04-9 + 120-18-3 [标题:Reaction Conditions
  标题:Product Subclass 1: Arenesulfonic Acids And Arenesulfonate Salts
  作者:Fravel,B.; Et Al
  参考文献:Science Of Synthesis 日期:2007 卷标:31 页码:739-773]
  
  = 85-47-2
  反应条件:1.1 Reagents: Acetic Anhydride,Sulfuric Acid; 3.5 - 4 H,60 - 75 °C
  标题:Preparation Of High Purity α-Naphthol
  作者:Guseinov,N. I.; Et Al
  参考文献:Azerbaidzhanskii Khimicheskii Zhurnal 日期:2008 卷标:(3) 页码:50-55]
  
  = 85-47-2
  反应条件:1.1 Reagents: Sodium Bisulfite Catalysts: Dipyridinium Dichromate; 5.5 Min,2 Bar,100 °C
  标题:Cornforth And Corey-Suggs Reagents As Efficient Catalysts For Sulfonation Of Aromatic And Heteroaromatic Compounds Using Nahso3 Under Solvent Free And Microwave Conditions
  作者:Fatima,Touheeth; Et Al
  参考文献:Phosphorus 日期:2020 卷标:195(12) 页码:1001-1006]
  
  85-46-1 = 85-47-2
  反应条件:1.1 Reagents: Tosyl Chloride,Diisopropylethylamine Solvents: Dichloromethane1.2 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane
  标题:Exploiting Differences In Solution Vs Solid-Supported Reactivity For The Synthesis Of Sulfonic Acid Derivatives
  作者:Hari,Anitha; Et Al
  参考文献:Organic Letters 日期:1999 卷标:1(13) 页码:2109-2111]
  
  = 85-47-2 + 13250-03-8
  反应条件:1.1 Reagents: Phosphorus Pentoxide,Sodium Bisulfate; 3 H,Rt
  标题:Mechanochemical Sulfonation Of Aromatic Compounds Using Nahso4.H2O/p2O5
  作者:Zuo,Lu-Lu; Et Al
  参考文献:Journal Of Chemical Research 日期:2021 卷标:45(11-12) 页码:942-949]
  
  = 85-47-2 + 791-28-6
  反应条件:1.1 Reagents: Sodium Ethoxide Solvents: Water
  标题:Effect Of The Triphenylphosphonium Group On Electrophilic Substitution In The Naphthalene Series
  作者:Bukachuk,O. M.; Et Al
  参考文献:Zhurnal Obshchei Khimii 日期:1986 卷标:56(8) 页码:1789-94]
  
  1146-65-2 = 85-47-2
  反应条件:1.1 Reagents: Manganese Triacetate,Potassium Pyrosulfite Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 2 H,Rt
  标题:Homolytic Aromatic Sulfonation With K2S2O5 Promoted By A Combination Of Mn(Oac)3.2H2O And Hfip
  作者:Han,Bingxu; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2022 卷标:87(11) 页码:7124-7135]
  
  = 85-47-2 + 84-87-7
  反应条件:1.1 Reagents: 2,4,6-Trimethylbenzenesulfonic Acid Solvents: Mesitylene
  标题:Sulfonating Agent And Process
  参考文献:World Intellectual Property Organization]
  
  90-11-9 = 85-47-2 + 791-28-6
  反应条件:1.1 Catalysts: Nickel Dichloride2.1 Reagents: Sulfuric Acid Solvents: Chloroform3.1 Reagents: Sodium Ethoxide Solvents: Water
  标题:Effect Of The Triphenylphosphonium Group On Electrophilic Substitution In The Naphthalene Series
  作者:Bukachuk,O. M.; Et Al
  参考文献:Zhurnal Obshchei Khimii 日期:1986 卷标:56(8) 页码:1789-94]
  
  = 85-47-2 + 81-04-9 + 120-18-3
  反应条件:1.1 Reagents: Trifluoroacetic Anhydride,Sulfuric Acid; 3 H,0 °C; 10 Min,-50 °C1.2 Solvents: Water; 0 °C
  标题:Clean-Chemistry Sulfonation Of Aromatics
  作者:Corby,Brian W.; Et Al
  参考文献:Journal Of Chemical Research 日期:2002 卷标:(7) 页码:326-327

海关参考信息

• 2902200000-苯
  2902902000-精萘
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