4-Chlorobenzenesulfonamide 4-氯苯磺酰胺

CAS 98-64-6 MFCD00007936

化学结构图

98-64-6
SMILES: NS(=O)(=O)c1ccc(Cl)cc1

化学属性

Mol. FormulaC6H6ClNO2S
Mol. Weight191.64
Melting Point140-144°C
TSCAYes
Boiling Point342.2±44.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-Chlorobenzenesulfonamide
CAS Number98-64-6
Synonym 4-Chlorobenzenesulfonamide {LY} 4-Chlorobenzenesulfonamide {} {LY} 4-Chlorobenzenesulfonamide {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobenzenesulfonamide
MDL NumberMFCD00007936
PubChem Substance ID66824
Beilstein Registry Number1308891
EC Number202-689-5
Chemical Name Translation4-氯苯磺酰胺
Reaxys-RN1308891
InChIKeyHHHDJHHNEURCNV-UHFFFAOYSA-N
Wiswesser Line NotationZSWR DG
LabNetwork Molecule IDLN00008906
InChIInChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
Canonical SMILESO=S(C1=CC=C(Cl)C=C1)(N)=O
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分类

  • Sulfur & Selenium Compounds
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfonamides/Sulfinamides, Sulfur Compounds

产品应用

  • Anticonvulsant against audiogenic convulsion.

相关文献及参考

  • Kim, K., et al.: J. Med. Chem., 51, 5330 (2008),
  • Ruel, R., et al.: Bioorg. Med. Chem. Lett., 18, 2985 (2008),
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 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/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provid

安全信息

WGK Germany2
GHS Symbol
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSDB1400000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word
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;
  • S37 Wear suitable gloves 戴适当手套;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes Xi
TYPE OF TEST            : LDLo - Lowest published lethal dose
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 :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,20,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ABMGAJ Acta Biologica et Medica Germanica.  (Berlin, Ger. Dem. Rep.) V.1-41,
   1958-82.  For publisher information, see BBIADT. Volume(issue)/page/year:
   21,193,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • 方法一:由对氯苯磺酸钠经氯磺化、胺化而得。在对氯苯磺酸钠加入氯磺酸中,在40-42℃保温0.5h,在60℃保温3h。然后冷至室温滴加到冰水中,于15℃以下过滤,洗涤至pH为5.5-6,得对氯苯磺酰氯。将其加入10℃以下的氨水中。于40-42℃保温2h,冷却结晶,过滤,洗涤得对氯苯磺酰胺。收率为75%。
  • 下游产品:4-肼基苯磺酰胺 --> 氯磺丙脲
  • 类别:农药
  • 毒性分级:中毒
  • Acros Organics:对氯苯磺酰胺 4-Chlorobenzenesulfonamide, 98+%(98-64-6)
  • 上游原料:氢氧化铵 --> 氯磺酸 --> 4-氯苯磺酰氯 --> 对氯苯磺酸钠
  • 用途一:用作医药对氯苯磺酰肼的中间体
  • TCI Shanghai:4-氯苯磺酰胺 4-Chlorobenzenesulfonamide,>;97.0%(N)(98-64-6)
  • 4-氯苯磺酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C1099 4-氯苯磺酰胺 4-Chlorobenzenesulfonamide 500G 1360元 2011/04/16 C1099 4-氯苯磺酰胺 4-Chlorobenzenesulfonamide 25G 182元 2010/06/21 108631000 4-氯苯磺酰胺 4-Chlorobenzenesulfonamide 98+% 100 GR 435元
  • MOL 文件:98-64-6.mol
  • Alfa Aesar:4-氯苯磺酰胺,98% 4-Chlorobenzenesulfonamide, 98%(98-64-6)
  • Sigma Aldrich:98-64-6(sigmaaldrich)
  • 可燃性危险特性:热分解排出有毒氮氧化物, 硫氧化物, 氯化物烟雾
  • 4-氯苯磺酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1099 4-氯苯磺酰胺 4-Chlorobenzenesulfonamide 500G 1320元 2014/06/02 C1099 4-氯苯磺酰胺 4-Chlorobenzenesulfonamide 25G 179元 2010/06/21 108631000 4-氯苯磺酰胺 4-Chlorobenzenesulfonamide 98+% 100 GR 435元
  • MSDS 信息:4-Chlorobenzenesulfonamide(98-64-6).msds
  • 用途二:医药中间体。
  • 储运特性:库房低温通风干燥
  • 图谱信息:4-氯苯磺酰胺(98-64-6)红外图谱(IR2) 4-氯苯磺酰胺(98-64-6)质谱(MS) 4-氯苯磺酰胺(98-64-6)核磁图( 1 HNMR) 4-氯苯磺酰胺(98-64-6)红外图谱(IR1)
  • 急性毒性:口服-大鼠 LDL0: 500 毫克/公斤; 口服-小鼠 LD50: 2700 毫克/公斤

系列性分类


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