4-Cyanobenzenesulphonamide 对氰基苯磺酰胺

CAS 3119-02-6 MFCD00178767

化学结构图

3119-02-6
SMILES: N#Cc1ccc(S(N)(=O)=O)cc1

化学属性

Mol. FormulaC7H6N2O2S
Mol. Weight182.20
Melting Point166-169

别名和识别编码

Chemical Name4-Cyanobenzenesulphonamide
CAS Number3119-02-6
Alfabeta NameCYANOBENZENESULFONAMIDE 4-
MDL NumberMFCD00178767
Synonym 4-Cyanobenzenesulphonamide {LY} 4-Cyanobenzenesulphonamide {} {LY} 4-Cyanobenzenesulphonamide {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Cyanobenzenesulphonamide {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number221-492-5
Chemical Name Translation对氰基苯磺酰胺
InChIKeyUZECCNDOASGYNH-UHFFFAOYSA-N
Wiswesser Line NotationZSWR DCN
Beilstein Registry Number2093857
PubChem Substance ID76566
LabNetwork Molecule IDLN00125302
InChIInChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
Canonical SMILESC1=C(C=CC(=C1)S(=O)(=O)N)C#N
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • Amines, Building Blocks, C6 to C7, C7, Chemical Synthesis, Cyanides/Nitriles, New Products for Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Amines, Building Blocks, C6 to C7, C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.e
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.

安全信息

Warnings IRRITANT
Hazard Codes Xn Xi
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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
UN Number 3276
GHS Symbol
Signal word Warning
Precautionary statements
  • 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。
  • 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+P312
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDB1582000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 8,548,1965

WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
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

  • Acros Organics:4-苯甲腈-1-磺酰胺 4-cyanobenzene-1-sulfonamide(3119-02-6)
  • Hazard Note:Harmful
  • MOL 文件:3119-02-6.mol
  • 对氰基苯磺酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 CD10716DA 对氰基苯磺酰胺 4-cyanobenzene-1-sulfonamide 1 GR 930元 2010/06/21 CD10716EB 对氰基苯磺酰胺 4-cyanobenzene-1-sulfonamide 25 GR 4380元 2010/06/21 CD10716EA 对氰基苯磺酰胺 4-cyanobenzene-1-sulfonamide 10 GR 4140元

系列性分类

  1. C7 - Amines

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