CAS: 85958-57-2; 2-Chloro-4-Fluorobenzenesulfonyl Chloride

该化合物是一种芳香磺化氯化合物,其特征是附于苯环的磺酰胺(-SO2Cl),该化合物也含有氯和氟的替代成分.该化合物一般是无色的,视其形态和纯度而定,无色的黄色液体或固体;以其反应性能而著称,特别是在核脑替代反应中,它可以作为磺酰激素剂;氯和氟原子的存在有助于其电子生殖性,使其在各种合成应用中有用,包括制备磺酰胺和其他功能化芳香化合物;此外,由于该物质具有腐蚀性,而且有可能在水解过程中释放有毒气体;适当的安全措施,包括使用个人防护设备和在通风良好的地区工作,在处理该化学品时至关重要.

英文名称2-Chloro-4-Fluorobenzenesulfonyl Chloride
中文名称2-氯-4-氟苯-1-磺酰氯
IUPAC名称2-chloro-4-fluorobenzenesulfonyl chloride
其它别名2-氯-4-氟本磺酰氯; Disulfide, Bis[2-Nitro-4- (Trifluoromethyl)Phenyl]
CAS编号85958-57-2
MFCD编号:MFCD00052957
EINECS号:625-926-8
分子式:C6H3Cl2FO2S
分子量:229.06
产品CID: 1859256
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: FCFPJKHVCHKCMP-UHFFFAOYSA-N
InChI=1S/C6H3Cl2FO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

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
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2
警示词Danger(危险)
危险描述H314 |造成严重皮肤灼伤和眼损伤.
H302 |吞咽有害.
H335 |可能引起呼吸道刺激.
H319 |造成严重眼刺激.
防范说明P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
危险等级8
UN编号1759.0
危险品标志C
风险等级Corrosive
包装等级Ⅲ
安全声明26-36/37/39-45
危险类别码34
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号132243-22-2 bis(2-chloro-4-... | CAS号2106-02-7 2-氯-4-氟苯胺 | CAS号69156-30-5 2-氯-4-氟苯磺酰胺

合成工艺路线路线简述

132243-22-2 = 85958-57-2
反应条件:1.1 Reagents: Hydrochloric Acid,Chlorine Solvents: Water; 3 H,50 - 60 °C1.2 Reagents: Sodium Carbonate Solvents: Water; Rt
标题:A Novel Synthesis Of 2-Chloro-4-Fluoro-5-Nitrobenzenesulfonyl Chloride
作者:Du,Xiao-Hua; Et Al
参考文献:Organic Preparations And Procedures International 日期:2005 卷标:37(6) 页码:566-569]

2106-02-7 = 85958-57-2 [标题:Reaction Conditions
标题:5-Sulfamoylorthanilic Acids,A Sulfonamide Series With Salidiuretic Activity
作者:Sturm,K.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:1983 卷标:26(8) 页码:1174-87]

729-41-9 = 85958-57-2
反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 0.5 H,0 - 5 °C1.2 Reagents: Sodium Nitrite Solvents: Water; 2 H,0 - 5 °C1.3 Reagents: Tetrafluoroboric Acid Solvents: Water; 2 H,0 - 5 °C1.4 Solvents: 1,2-Dichlorobenzene; 1 H,140 °C1.5 Reagents: Sodium Carbonate Solvents: 1,2-Dichlorobenzene,Water; Rt2.1 Reagents: Hydrochloric Acid,Chlorine Solvents: Water; 3 H,50 - 60 °C2.2 Reagents: Sodium Carbonate Solvents: Water; Rt
标题:A Novel Synthesis Of 2-Chloro-4-Fluoro-5-Nitrobenzenesulfonyl Chloride
作者:Du,Xiao-Hua; Et Al
参考文献:Organic Preparations And Procedures International 日期:2005 卷标:37(6) 页码:566-569

2-氯-4-氟苯胺置于盐酸,二氧化硫,溶剂黄146,Sodium Nitrite体系中,化学反应生成 2-氯-4-氟苯磺酰氯
参考文献:5-氨磺酰基邻氨基苯甲酸,具有水利尿活性的磺酰胺系列.
标题:5-氨磺酰基邻氨基苯甲酸,具有水利尿活性的磺酰胺系列.
摘要:通过亲核取代反应,从2,4-二卤代-5-氨磺酰基苯磺酸开始,或者在大多数情况下,从苯基2,4-二卤代5-氨磺酰基苯磺酸开始合成一系列4,N-二取代的5-氨磺酰基邻氨基苯甲酸.后一种方法是基于苯氧基磺酰基相对于亲核试剂(例如胺,酚和硫醇)的相对稳定性,以及作为形成so3H基团的最终步骤进行平滑水解或氢解裂解的可能性.在评价这些化合物在大鼠口服(po),狗在口服和静脉注射(iv)中的利尿作用时,发现了许多高活性物质.最好的狗的口服剂量为0.02 Mg / Kg.结果在表中给出,并讨论了该系列中的构效关系.除了苯氧基的已知作用外,丁基磺酰基和环烷基磺酰基以及特别是当它们位于邻氨基苯甲酸分子的4位时的n-甲基苯胺基自由基还显示出杰出的活化作用.合成了与三种活性最高的化合物相对应的磺胺酸异构体,并证明在大鼠中完全无活性.
DOI:10.1021/jm00362A017

海关参考信息

2903919090-氯苯
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专利信息

专利号:US-9574189-B2
优先权日:2005-12-01
标题:Enzymatic encoding methods for efficient synthesis of large libraries
发明人：FRANCH THOMAS; LUNDORF MIKKEL DYBRO; JACOBSEN SÃ˜REN NYBOE; OLSEN EVA KAMPMANN; ANDERSEN ANNE LEE; HOLTMANN ANETTE; HANSEN ANDERS HOLM; SÃ˜RENSEN ANDERS MALLING; GOLDBECH ANNE; DE LEON DAEN; KALDOR DITTE KIEVSMOSE; SLÃ˜K FRANK ABILDGAARD; HUSEMOEN GITTE NYSTRUP; DOLBERG JOHANNES; Jensen Kim BirkebÃ¦; PEDERSEN LENE; NÃ˜RREGAARD-MADSEN MADS; GODSKESEN MICHAEL ANDERS; GLAD SANNE SCHRÃ˜DER; NEVE SÃ˜REN; THISTED THOMAS; KRONBORG TINE TITILOLA AKINLEMINU; SAMS CHRISTIAN KLARNER; FELDING JAKOB; FRESKGÃ…RD PER-OLA; GOULIAEV ALEX HAAHR; PEDERSEN HENRIK
权利人:FRANCH THOMAS; LUNDORF MIKKEL DYBRO; JACOBSEN SÃ˜REN NYBOE; OLSEN EVA KAMPMANN; ANDERSEN ANNE LEE; HOLTMANN ANETTE; HANSEN ANDERS HOLM; SÃ˜RENSEN ANDERS MALLING; GOLDBECH ANNE; DE LEON DAEN; KALDOR DITTE KIEVSMOSE; SLÃ˜K FRANK ABILDGAARD; HUSEMOEN GITTE NYSTRUP; DOLBERG JOHANNES; Jensen Kim BirkebÃ¦; PEDERSEN LENE; NÃ˜RREGAARD-MADSEN MADS; GODSKESEN MICHAEL ANDERS; GLAD SANNE SCHRÃ˜DER; NEVE SÃ˜REN; THISTED THOMAS; KRONBORG TINE TITILOLA AKINLEMINU; SAMS CHRISTIAN KLARNER; FELDING JAKOB; FRESKGÃ…RD PER-OLA; GOULIAEV ALEX HAAHR; PEDERSEN HENRIK; NUEVOLUTION AS
摘要:Disclosed is a method for obtaining a bifunctional complex comprising a molecule linked to a single stranded identifier oligonucleotide, wherein a nascent bifunctional complex comprising a chemical reaction site and a priming site for enzymatic addition of a tag is a) reacted at the chemical reaction site with one or more reactants, and b) reacted enzymatically at the priming site with one or more tag(s) identifying the reactant(s).

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专利号:EP-2341140-A1
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