Benzenesulfonyl chloride 苯磺酰氯

CAS 98-09-9 MFCD00007426

化学结构图

98-09-9
SMILES: O=S(=O)(Cl)C1CCCCC1

化学属性

Mol. FormulaC6H5ClO2S
Mol. Weight176.92
Density1.384
Refractive index1.5510 to 1.5530
Boiling Point251-252
Vapor Pressure0.04 mmHg ( 20 °C)
Melting Point13-15
Flash Point132°C(lit.)
TSCAYes
SolubilitySoluble in alcohol, diethyl ether, ether, and benzene. Insoluble in cold water.
Stability易吸潮

别名和识别编码

Chemical NameBenzenesulfonyl chloride
MDL NumberMFCD00007426
CAS Number98-09-9
Synonym AKOS BBS-00004356 BENZENE SULFOCHLORIDE BENZENE SULFONE CHLORIDE BENZENESULPHONYL CHLORIDE Benzene sulfonyl chloride Benzenesulfochloride Benzenesulfonic(acid)chloride Benzenesulfonyl Chloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number202-636-6
Beilstein Registry Number606926
PubChem Substance ID87563249
Merck Number1072
Reaxys-RN606926
Chemical Name Translation苯磺酰氯
Wiswesser Line NotationWSGR
LabNetwork Molecule IDLN00195183
InChIInChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
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分类

  • {SNA} A-B, Puriss p.a., Analytical Reagents for General Use, Puriss p.a., 分析/色谱, 分析试剂
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC, Organic Building Blocks, Sulfonyl Halides, Sulfur Compounds, UV-VIS, 分析/色谱, 分析试剂
  • {SA} Analytical Reagents, Analytical/Chromatography, Building Blocks, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC, Organic Building Blocks, Sulfonyl Halides, Sulfur Compounds, UV-VIS
  • {Chemicalbook} 农药

产品应用

  • 农药；染料；医药的中间体。用于冰染染料色基的制造，如红色基B；红色基GL。用于磺胺药物的制造。苯磺酰氯是检定胶类的试剂。

相关文献及参考

  • Short: II/25D
  • Merck: 14,1072 Beilstein: 11,IV,49
  • Alternatively, MgBr2 induces a ring-opening reaction leading to ß-unsaturated acids. See, e.g.: Synth. Commun., 19, 2243 (1989).
  • Short: II/14a
  • Merck: 14,1072
  • Reacts with ß-hydroxy esters in pyridine to give ß-lactones which, at higher temperatures eliminate CO2 in a stereospecific alkene synthesis: J. Am. Chem. Soc., 94, 2000 (1972); J. Org. Chem., 39, 1322, 1650 (1974):
  • Short: II/24B

安全信息

GHS Symbol
WGK Germany1
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
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302+H332
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDB8750000
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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/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。
  • 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+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • 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。
  • 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
Packing GroupIII
UN Number 2225 UN 2225 8/PG 3
Risk Statements
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R34 Causes burns 会导致灼伤
  • R42/43
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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；
  • 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）；
Storage condition +4°C Moisture Sensitive 储存温度2-8℃,充氩保存 易吸潮，密封保存。
Hazard Codes 8 C
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 828 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 36(6),19,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 76 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   MEPAAX Medycyna Pracy.  Industrial Medicine.  (Ars-Polona, POB 1001, 00-068
   Warsaw 1, Poland) V.1-    1950-  Volume(issue)/page/year: 20,513,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1960 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   MEPAAX Medycyna Pracy.  Industrial Medicine.  (Ars-Polona, POB 1001, 00-068
   Warsaw 1, Poland) V.1-    1950-  Volume(issue)/page/year: 20,513,1969

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF E

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 828 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/

Warnings 危险化学品

其他信息

  • 用途一:用于制磺胺药物等，也用于鉴定各种胺
  • 可燃性危险特性:可燃; 遇水分解有毒氯化物气体; 燃烧产生有毒氯化物和硫氧化物烟雾
  • 毒性分级:中毒
  • 灭火剂:砂土、干石粉、二氧化碳
  • 下游产品:4-甲苯磺酰氯 --> 4-硝基-2-甲苯胺 --> 4-甲基-2-硝基苯胺 --> 苯硫酚 --> (三氟甲基)三甲基硅烷 --> 亮丙瑞林 --> 颜料紫 23 --> 苯亚磺酸钠 --> 苯磺酰胺 --> 磺胺喹恶啉 --> 2,5-二氯吡啶 --> 2-(2-氯乙氧基)苯磺酰胺 --> 苯硫代磺酸钠 --> 柳氮磺吡啶 --> 克瘟散 --> N,N-二甲基,对十八烷基苯磺酰胺丙基铵基丙磺酸盐 --> 1-(苯磺酰)-1H-吲哚-2-甲醛 --> 2,4-二氯-5-磺酰胺基苯甲酸 --> 酸性黄79 --> 冰染重氮组分 34 --> 2-甲基-3-硝基苯胺 --> 苯磺酰肼 --> 双苯磺酰亚胺
  • MSDS 信息:苯磺酰氯(98-09-9).msds
  • 用途三:苯磺酰氯是一种有机合成原料，在农药上用于合成沙蚕毒类杀虫剂杀虫磺的中间体硫代苯磺酸钠，另外也是医药和染料的中间体。
  • 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 2011/08/23 80015128 苯磺酰氯;氯化苯磺酰;氯磺苯 500ml 34.4元 2011/04/16 B0036 苯磺酰氯 Benzenesulfonyl Chloride 25G 165元 2011/04/16 B0036 苯磺酰氯 Benzenesulfonyl Chloride 500G 355元
  • 对湿敏感。不溶于水，易溶于乙醇，溶于乙醚。有腐蚀性。
  • Benzenesulfonyl chloride is prepared by reaction of benzene and chlorosulfonic acid or from the sodium salt of benzenesulfonic acid and PCl5 or POCl3. It reacts with Grignard reagent from N-unsubstituted indoles to form oxindoles or substituted indoles. Benzenesulfonyl chloride is the derivatization reagent for the determination of various amines in waste water and surface water at the sub-ppb level by gas chromatography-mass spectrometry.
  • 储运特性:库房通风低温干燥; 与氧化剂、H发孔剂、碱类、氰化物分开存放
  • Alfa Aesar:苯磺酰氯化物,98% Benzenesulfonyl chloride, 98%(98-09-9)
  • 爆炸物危险特性:在密封瓶中可爆炸;与二甲基亚砜反应爆炸; 与甲基甲酰胺反应激烈
  • 用途二
  • 类别:腐蚀物品
  • 职业标准:STEL 1 毫克/ 立方米
  • 上游原料:苯 --> 氯磺酸
  • MOL 文件:98-09-9.mol
  • Sigma Aldrich:98-09-9(sigmaaldrich)
  • 图谱信息:苯磺酰氯(98-09-9)核磁图( 1 HNMR) 苯磺酰氯(98-09-9)红外图谱(IR1) 苯磺酰氯(98-09-9)质谱(MS) 苯磺酰氯(98-09-9)核磁图( 13 CNMR)
  • 蒸气压:0.04 mm Hg ( 20 °C)
  • F:21
  • 急性毒性:口服- 大鼠 LD50: 1960 毫克/ 公斤; 口服- 小鼠 LD50: 828 毫克/ 公斤
  • Acros Organics:苯磺酰氯 Benzenesulfonyl chloride, 96%(98-09-9)

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Analytical Reagents for General Use - Analytical Reagents
  4. Puriss p.a. - Analytical Reagents for General Use
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Derivatization Reagents 衍生分析试剂
  4. Derivatization Reagents HPLC - Derivatization Reagents
  5. UV-VIS - Derivatization Reagents HPLC
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Analytical Reagents for General Use - Analytical Reagents
  4. Puriss p.a. - Analytical Reagents for General Use
  5. A-B, Puriss p.a. - Puriss p.a.
  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. Sulfonates/Sulfinates - 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
  1. Analytical & Chromatography 分析化学与色谱
  2. Adsorbents, Filter Aids and Drying Agents
  3. Other Drying Agents
  1. Analytical & Chromatography 分析化学与色谱
  2. HPLC
  3. Derivatization Reagents
  4. HPLC Derivatization Reagents, by Application
  5. Thiols
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents HPLC
  4. HPLC Derivatization Reagents, by Application
  5. Thiols
  1. sulfonyl halide

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