4-Chlorobenzenesulfonic Acid 4-氯苯磺酸

CAS 98-66-8 MFCD00065342

化学结构图

98-66-8
SMILES: O=S(=O)(O)c1ccc(Cl)cc1

化学属性

Mol. FormulaC6H5ClO3S
Mol. Weight192.62
Boiling Point149°C at 760 mmHg
Melting Point102 °C
Density1.551
Appearance 针状结晶。熔点67℃（68℃），沸点147-148℃（3.33kPa）。溶于水和乙醇。

别名和识别编码

Chemical Name4-Chlorobenzenesulfonic Acid
CAS Number98-66-8
Alfabeta NameCHLOROBENZENESULFONICACID 4-
MDL NumberMFCD00065342
PubChem Substance ID87565702
EC Number202-690-0
Reaxys-RN2209486
Merck Number2122
Beilstein Registry Number11(3)89
Synonym 4-Chlorobenzenesulfonic acid hydrate {LY} 4-Chlorobenzenesulfonic acid hydrate {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonic acid hydrate {} {} {} {} {}
Chemical Name Translation4-氯苯磺酸
InChIKeyRJWBTWIBUIGANW-UHFFFAOYSA-N
LabNetwork Molecule IDLN00173916
InChIInChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
Canonical SMILESO=S(C1=CC=C(Cl)C=C1)(O)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfonic/Sulfinic Acids, Sulfur Compounds

相关文献及参考

  • Merck: 14,2122 Beilstein:11(3)89
  • Merck: 14,2122

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard Codes C
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • 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
RTECSDB5074000
Precautionary statements
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P304+P340+P312
  • 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。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger {} {} {TCI}
UN Number 2583 2585 UN 2583 8/PG 2
Safety Statements
  • 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）；
  • 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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • 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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 25,501,1977

Storage condition Store at room temperature, keep dry and cool {LY} Store at room temperature, keep dry and cool {} {LY} Store at room temperature, keep dry and cool {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature, keep dry and cool {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store

其他信息

  • TCI Shanghai:4-氯苯磺酸水合物 4-Chlorobenzenesulfonic Acid Hydrate,>;98.0%(T)(98-66-8)
  • 可燃性危险特性:热分解排出有毒硫氧化物, 氯化物烟雾
  • Sigma Aldrich:98-66-8(sigmaaldrich)
  • 毒性分级:中毒
  • 储运特性:库房低温通风干燥
  • MSDS 信息:4-Chlorobenzenesulfonic acid(98-66-8).msds
  • 4-氯苯磺酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0606 4-氯苯磺酸水合物 4-Chlorobenzenesulfonic Acid Hydrate 500G 2550元 2014/06/02 C0606 4-氯苯磺酸水合物 4-Chlorobenzenesulfonic Acid Hydrate 25G 282元 2010/06/21 404500250 4-氯苯磺酸 4-Chlorobenzenesulfonic acid 90%, tech. 25 GR 278元
  • Acros Organics:4-氯苯磺酸 4-Chlorobenzenesulfonic acid, tech., 90%(98-66-8)
  • 急性毒性:口服-大鼠 LD50: >; 500 毫克/公斤
  • 类别:有毒物质
  • 用途一:医药、染料中间体。
  • 方法一:（1）由对氨基苯磺酸经重氮化、消除而得将对氨基苯磺酸、盐酸加入水中，冷却至20℃以下，滴加亚硝酸钠溶液，反应到终点即得重氮液。另将硫酸铜、氯化钠加入约80℃的水中，待全部溶解后滴加碱性亚硫酸钠溶液。加毕反应20min，冷至室温，静置，将沉淀用倾泻法清洗，加盐酸溶解，冷至0℃以下，滴加上述重氮液，即生成对氯苯磺酸。将反应液升温至80℃，加食盐盐析，过滤可得对氯苯磺酸钠。（2）由氯苯经磺化而得在反应锅内加入98%浓硫酸及10%发烟硫酸，搅拌15min，逐渐加入干燥的氯苯，在95-100℃搅拌反应5h，检查磺化终点。到达终点时反应物酸度不大于70%，能在水中溶解完全。
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • 图谱信息:4-氯苯磺酸(98-66-8)红外图谱(IR3) 4-氯苯磺酸(98-66-8)核磁图( 13 CNMR) 4-氯苯磺酸(98-66-8)核磁图( 1 HNMR) 4-氯苯磺酸(98-66-8)质谱(MS) 4-氯苯磺酸(98-66-8)红外图谱(IR1) 4-氯苯磺酸(98-66-8)红外图谱(IR2)
  • 上游原料:发烟硫酸 --> 硫酸铜 --> 对氨基苯磺酸 --> 对氯苯磺酸钠
  • MOL 文件:98-66-8.mol

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. Sulfonic/Sulfinic Acids 磺酸/亚磺酸
  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. Sulfonic/Sulfinic Acids 磺酸/亚磺酸

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