CAS: 931-59-9; Phenyl Hypochlorothioite

• 英文名称Phenyl Hypochlorothioite
• 中文名称苯次磺酰氯
• IUPAC名称phenyl hypochlorothioite
• 其它别名Phenylsulfenylchloride; Benzenesulfenyl Chloride; Benzenesulfenic Acid Chloride; Phenylchloro Sulfide; Phenylthio Chloride; Phenylsulphenyl Chloride; Phenyl Hypochlorothioite; (Chlorosulfanyl)Benzene
• CAS编号931-59-9
• MFCD编号:MFCD11850482
• EINECS号:632-987-4
• 分子式:C6H5ClS
• 分子量:144.62
• 产品CID: 1970174
• 产品分类有机原料 → 羧酸类化合物及衍生物 → 羧酸酰卤化物

• 相似结构搜索
• 产品信息参考;
• InChIKey: JWUKZUIGOJBEPC-UHFFFAOYSA-N
• InChI=1S/C6H5ClS/c7-8-6-4-2-1-3-5-6/h1-5H…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点44 °C
• 沸点261.7±9.0 °C at 760 mmHg
• 闪点110.3±15.9 °C
• 密度1.3±0.1 g/cm3
• PSA:25.3
• LogP:3.63
• 折射率1.603
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Soluble In Pentane, Benzene, Acetone, Chcl3, Ch2Cl2, Ccl4.
• 敏感性对水不稳定
• 外观形态紫红色吸湿的油性液体
• 储存条件2-8°C, 氮气保护
• 产品应用合成防焦剂PTP的中间体.
• 性质描述暗红色液体.沸点73-75°C(1.2kPa),49°C(0.53kPa).溶于苯.

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
  皮肤腐蚀 类别1B
• 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.
  H314 |造成严重皮肤灼伤和眼损伤.
• 防范说明P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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 Phenylsulfenylchloride 主要起始原料 Diphenyl Disulfide
• 882-33-7 = 931-59-9
  反应条件:1.1 Reagents: Hydrochloric Acid,Sodium Hypochlorite Solvents: Dichloromethane; 30 Min,0 °C; 30 Min,0 °C
  标题:Safe And Practical Ex-Situ Chlorination Of Electronically Diverse π-Systems
  作者:Aguilar,Glen C.; Lis,Patrycja A.; Wise,Dan E.; Martinez,Jenny S.; Parasram,Marvin
  参考文献:Tetrahedron Letters 日期:2023 卷标:124]
  
  = 931-59-9
  反应条件:1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane; 0 °C; 15 Min,0 °C
  标题:Bifunctional Polyene Cyclizations: Synthetic Studies On Pimarane Natural Products
  作者:Feilner,Julian M.; Plangger,Immanuel; Wurst,Klaus; Magauer,Thomas
  参考文献:Chemistry - A European Journal 日期:2021 卷标:27(48) 页码:12410-12421]
  
  = 931-59-9
  反应条件:1.1 Reagents: Chlorine Solvents: Pentane; 1 H,Rt
  标题:The Endocyclic Restriction Test: The Geometries Of Nucleophilic Substitutions At Sulfur(Vi) And Sulfur(Ii)
  作者:Jarboe,Stephen G.; Terrazas,Michael S.; Beak,Peter
  参考文献:Journal Of Organic Chemistry 日期:2008 卷标:73(24) 页码:9627-9632]
  
  = 931-59-9
  反应条件:1.1 Reagents: Chlorine
  标题:Electrophilic Additions To Strained Alkenes. Ii. The Reaction Of Benzeneselenenyl Chloride With Tricyclo[4.2.2.02,5]Deca-3,7-Diene Derivatives
  作者:Garratt,Dennis G.; Ryan,M. Dominic; Kabo,Ann
  参考文献:Canadian Journal Of Chemistry 日期:1980 卷标:58(22) 页码:2329-39]
  
  882-33-7 = 931-59-9
  反应条件:1.1 Reagents: Iodobenzene Dichloride Solvents: Dichloromethane; 20 Min,Rt
  标题:Method For Synthesizing Aryl Sulfenyl/selenenyl Chloride
  参考文献:China]
  
  = 931-59-9
  反应条件:1.1 Reagents: Sulfuryl Chloride Solvents: Dichloromethane; 0 °C; 1 H,0 °C
  标题:Synthesis And Biological Evaluation Of Nonsymmetrical Aromatic Disulfides As Novel Inhibitors Of Acetohydroxyacid Synthase
  作者:Li,Zai-Shun; Wang,Wei-Min; Lu,Wei; Niu,Cong-Wei; Li,Yong-Hong; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2013 卷标:23(13) 页码:3723-3727]
  
  = 931-59-9
  反应条件:1.1 Reagents: Sulfuryl Chloride Solvents: Dichloromethane; 0 °C; 1 H,0 °C
  标题:Synthesis,Crystal Structure,In Vitro Acetohydroxyacid Synthase Inhibition,In Vivo Herbicidal Activity,And 3D-Qsar Of New Asymmetric Aryl Disulfides
  作者:Shang,Jun; Wang,Wei-Min; Li,Yong-Hong; Song,Hai-Bin; Li,Zheng-Ming; Et Al
  参考文献:Journal Of Agricultural And Food Chemistry 日期:2012 卷标:60(34) 页码:8286-8293]
  
  882-33-7 = 931-59-9
  反应条件:1.1 Reagents: Chlorine
  标题:Studies Of Aromatic Disulfides. Vii. Synthesis Of Asymmetric Aromatic And Aliphatic-Aromatic Disulfides
  作者:Stepanov,B. I.; Rodionov,V. Ya.; Chibisova,T. A.; Yagodina,L. A.; Stankevich,A. D.
  参考文献:Zhurnal Organicheskoi Khimii 日期:1977 卷标:13(2) 页码:370-4]
  
  882-33-7 = 931-59-9
  反应条件:1.1 Reagents: Triethylamine Solvents: Benzene; 15 Min,0 °C1.2 Reagents: Sulfuryl Chloride Solvents: Dichloromethane; 0 °C
  标题:Synthesis And Deployment Of An Elusive Fluorovinyl Cation Equivalent: Access To Quaternary α-(1'-Fluoro)Vinyl Amino Acids As Potential Plp Enzyme Inactivators
  作者:Mccune,Christopher D.; Beio,Matthew L.; Sturdivant,Jill M.; De La Salud-Bea,Roberto; Darnell,Brendan M.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(40) 页码:14077-14089]
  
  882-33-7 = 931-59-9
  反应条件:1.1 Reagents: Chlorine Solvents: Carbon Tetrachloride; 3 H,< 20 °C; 2 - 4 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Preparation And Characterization Of O- Or P-Phenylthio Substituted Phenol Compounds
  作者:Feng,Baicheng; Yu,Fanuan; Li,Peipei
  参考文献:Qingdao Keji Daxue Xuebao 日期:2010 卷标:31(3) 页码:231-233]
  
  882-33-7 = 931-59-9
  反应条件:1.1 Reagents: Chlorine Solvents: Carbon Tetrachloride; 3 H,< 20 °C; 2 H,< 20 °C
  标题:Method For Preparation Of Substituted Diphenyl Sulfide Via Friedel-Crafts Reaction
  参考文献:China]
  
  = 931-59-9
  反应条件:1.1 Reagents: Sulfuryl Chloride
  标题:Benzenesulfenyl Chloride
  作者:Zelcans,Gunars; Hutton,Thomas K.; Rios,Ramon; Shibata,Norio
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2013 卷标:1 页码:1-14]
  
  62167-00-4 = 931-59-9
  反应条件:1.1 Reagents: Sulfuryl Chloride Solvents: Dichloromethane
  标题:Synthesis Of [1C-13C]-Labelled Gangliosides Gm3 And Nmr-Spectroscopic Investigations In Cell Cultures
  作者:Gretzke,Dirk
  参考文献:1998]
  
  = 931-59-9 [标题:Reaction Conditions
  标题:Concerning The Mechanism Of The Formation Of Phosphoranes From The Reaction Of Tricoordinated Phosphorus Compounds And Alkyl Benzenesulfenates
  作者:Denney,Donald B.; Denney,Dorothy Z.; Gavrilovic,Dragan M.
  参考文献:Phosphorus And Sulfur And The Related Elements 日期:1981 卷标:11(1) 页码:1-9]
  
  = 931-59-9
  反应条件:1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane; 0 °C; 15 Min,0 °C
  标题:Palladium-Catalyzed Regio- And Stereoselective Chlorothiolation Of Terminal Alkynes With Sulfenyl Chlorides
  作者:Iwasaki,Masayuki; Fujii,Tomoya; Yamamoto,Arisa; Nakajima,Kiyohiko; Nishihara,Yasushi
  参考文献:Chemistry - An Asian Journal 日期:2014 卷标:9(1) 页码:58-62]
  
  = 931-59-9
  反应条件:1.1 Reagents: Sulfuryl Chloride Solvents: Dichloromethane; Cooled; 1 H,Cooled
  标题:Triazole-Asymmetric Disulfide Compounds As Herbicides And Their Preparation,Agrochemical Compositions And Use In The Control Of Weeds
  参考文献:China]
  
  = 931-59-9
  反应条件:1.1 Reagents: Sulfuryl Chloride Solvents: Dichloromethane; 0 °C; 1 H,0 °C
  标题:Preparation Of Heterocyclic Ring-Containing Asymmetric Aromatic Sulfide Compound As Ahas Inhibitors Useful As Herbicides
  参考文献:China]
  
  = 931-59-9
  反应条件:1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane; 0 °C; 15 Min,0 °C
  标题:In Situ Activation Of Disulfides For Multicomponent Reactions With Isocyanides And A Broad Range Of Nucleophiles
  作者:Lei,Xiaofang; Wang,Yuanyuan; Fan,Erkang; Sun,Zhihua
  参考文献:Organic Letters 日期:2019 卷标:21(5) 页码:1484-1487]
  
  = 931-59-9
  反应条件:1.1 Reagents: Chlorine
  标题:Cyclofunctionalization Of 2-Allylphenols With Sulfur Chlorides. Iii. 2-(Arylthiomethyl)-2,3-Dihydrofuro[3,2-H]Quinolines From 7-Allyl- And 7-Methallyl-8-Hydroxyquinoline,Respectively,And Arylsulfenyl Chlorides
  作者:Meinhold,H.; Muehlstaedt,M.; Muslih,R. M.
  参考文献:Journal Fuer Praktische Chemie (Leipzig) 日期:1989 卷标:331(1) 页码:136-40]
  
  = 931-59-9
  反应条件:1.1 Reagents: Sulfuryl Chloride Solvents: Pentane; 0.5 H,0 °C; 0 °C -> Rt; 1 H,Rt
  标题:Catalytic Thia-Sommelet-Hauser Rearrangement: Application To The Synthesis Of Oxindoles
  作者:Li,Yuye; Shi,Yi; Huang,Zhong-Xing; Wu,Xin-Hu; Xu,Peng-Fei; Et Al
  参考文献:Organic Letters 日期:2011 卷标:13(5) 页码:1210-1213

海关参考信息

• 2902200000-苯
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