4-Chlorobenzenesulfonyl Chloride 4-氯苯磺酰氯

CAS 98-60-2 MFCD00007439

化学结构图

98-60-2
SMILES: O=S(=O)(Cl)c1ccc(Cl)cc1

化学属性

Mol. FormulaC6H4Cl2O2S
Mol. Weight211.07
Boiling Point141°C at 760 mmHg
Melting Point50-52°C
Flash Point108°C
TSCAYes
Solubility不溶
Appearance 白色棱状晶体。 溶于乙醇，不溶于水。
Density1.377000

别名和识别编码

Chemical Name4-Chlorobenzenesulfonyl Chloride
MDL NumberMFCD00007439
CAS Number98-60-2
Synonym p-Chlorophenylsulfonyl chloride {LY} p-Chlorophenylsulfonyl chloride {} {LY} p-Chlorophenylsulfonyl chloride {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Chlorophenylsulfonyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87565307
EC Number202-685-3
Beilstein Registry Number511583
Alfabeta NameCHLOROBENZENESULFONYLCHLORIDE 41---
Reaxys-RN511583
Chemical Name Translation4-氯苯磺酰氯
Wiswesser Line NotationWSGR DG
LabNetwork Molecule IDLN00182235
InChIInChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
Canonical SMILESO=S(C1=CC=C(Cl)C=C1)(Cl)=O
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分类

  • {Chemicalbook} 农药中间体: 除草剂中间体: 二硝基苯胺类除草剂
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfonyl Halides, Sulfur Compounds

相关文献及参考

  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the spa

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSDB8925000
Precautionary statements
  • P234 Keep only in original container. 只保留在原来的容器中。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P330+P331
  • P301+P330+P331+P310
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Packing GroupII
UN Number 3261 UN 3261 8/PG 2
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R37 Irritating to respiratory system 刺激呼吸道
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes 8 C
Warnings IRRITANT
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,1071,1986

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,774,1955

其他信息

  • 毒性分级:中毒
  • 储运特性:库房低温通风干燥
  • MOL 文件:98-60-2.mol
  • Alfa Aesar:4-氯苯磺酰氯,97% 4-Chlorobenzenesulfonyl chloride, 97%(98-60-2)
  • 类别:有毒物品
  • 急性毒性:口服-大鼠 LD50： 4250 毫克/公斤； 腹腔-小鼠 LDL0：250 毫克/公斤
  • TCI Shanghai:4-氯苯磺酰氯 4-Chlorobenzenesulfonyl Chloride,>;98.0%(T)(98-60-2)
  • 上游原料:氯磺酸 --> 氯苯 --> 对氨基苯磺酸 --> 对氯苯磺酸钠
  • 4-氯苯磺酰氯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0128 4-氯苯磺酰氯 4-Chlorobenzenesulfonyl Chloride 25G 268元 2014/06/02 C0128 4-氯苯磺酰氯 4-Chlorobenzenesulfonyl Chloride 500G 1390元 2010/06/21 158560050 4-氯苯磺酰氯 4-Chlorobenzenesulfonyl chloride 97% 5 GR 178元
  • MSDS 信息:4-Chlorobenzenesulfonyl chloride(98-60-2).msds
  • 海关编码:29049020
  • 方法二:1.对氨基苯磺酸法采用对氨基苯磺酸为原料，经重氮化、Sandmeyer反应生成对氯苯磺酸，加入氢氧化钠生成对氯苯磺酸钠，将其加入氯磺酸中，在40-60℃反应3.5h，冷后滴入冰水中，150℃下过滤，洗涤至ph＝5.5-6即得到产品，经过重结晶提纯得到高纯度产品。由于对氨基苯磺酸法反应路线长、成本高，目前我国已经没有生产单位采用。2.氯苯和氯磺酸法采用氯苯和氯磺酸为原料，将氯磺酸和硫酸冷却至20℃以下，在强烈搅拌下加入氯苯，于23-25℃反应2-3h，升温至60℃，保持2h，冷却过滤即得到产品，经过重结晶提纯得到高纯度产品。原料消耗定额：氯磺酸2200kg/t、氯苯650kg/t、硫酸350kg/t。
  • 刺激数据:皮肤-兔 20 毫克/24小时 中度； 眼睛-兔 0.05 毫克/24小时 重度
  • 用途一:用作医药、农药中间体
  • F:21
  • 图谱信息:4-氯苯磺酰氯(98-60-2)核磁图( 13 CNMR) 4-氯苯磺酰氯(98-60-2)红外图谱(IR1) 4-氯苯磺酰氯(98-60-2)核磁图( 1 HNMR) 4-氯苯磺酰氯(98-60-2)质谱(MS) 4-氯苯磺酰氯(98-60-2)红外图谱(IR2) 4-氯苯磺酰氯(98-60-2)红外图谱(IR3)
  • 方法一:其制备方法是由氯苯氯磺化制得。 将氯磺酸与发烟硫酸混合后冷至20℃以下，在强烈搅拌下加入氯苯，于23～25℃反应2～3 h，再升温60℃反应2 h，冷却、滤干、洗去酸性而得。此外，也可用对氯苯磺酸在60℃与氯磺酸反应1.5 h而得。
  • Hazard Note:Corrosive
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • Sigma Aldrich:98-60-2(sigmaaldrich)
  • 用途三:该产品主要用于医药、工程塑料、农药中间体及有机合成原料对氯苯磺酰胺的制备。用于生产农药杀螨剂螨卵酯、医药泰尔登等。
  • 用途二:对氯苯磺酰氯是除草剂氨磺乐灵的中间体，也是杀螨剂螨卵酯、医药泰尔登的中间体。
  • 可燃性危险特性:热分解排出有毒硫氧化物烟雾
  • Acros Organics:4-氯苯磺酰氯 4-Chlorobenzenesulfonyl chloride, 97%(98-60-2)
  • 下游产品:三硫磷 --> 4-氯苯磺酰胺 --> 达尔卓潘 --> 对氯苯基对氯苯磺酸酯 --> 杀螨砜

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfonyl Halides - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfonyl Halides - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfonium/Sulfoxonium Compounds