3-Cyanobenzenesulfonamide 间氰基苯磺酰胺

CAS 3118-68-1 MFCD02089633

化学结构图

3118-68-1
SMILES: N#Cc1cccc(S(N)(=O)=O)c1

化学属性

Mol. FormulaC7H6N2O2S
Mol. Weight182.20
Melting Point151-153°C
TSCANo
Boiling Point392.5°C at 760 mmHg

别名和识别编码

Chemical Name3-Cyanobenzenesulfonamide
CAS Number3118-68-1
Alfabeta NameCYANOBENZENESULFONAMIDE 3-
MDL NumberMFCD02089633
EC Number221-492-5
Synonym 3-Cyanobenzenesulfonamide {LY} 3-Cyanobenzenesulfonamide {} {LY} 3-Cyanobenzenesulfonamide {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Cyanobenzenesulfonamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation间氰基苯磺酰胺
PubChem Substance ID2808718
LabNetwork Molecule IDLN00130360
InChIInChI=1S/C7H6N2O2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,(H2,9,10,11)
Canonical SMILESNS(=O)(=O)C1=CC(=CC=C1)C#N
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分类

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

相关文献及参考

  • 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
RTECSDB1582000
Safety Statements
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • 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；
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
  • S7/9 Keep container tightly closed and in a well-ventilated place 保持容器严格密闭，置于通风良好的场所；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S51 Use only in well-ventilated areas 仅在通风良好的场所使用；
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
  • R22 Harmful if swallowed 吞咽有害
  • 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
GHS Symbol
WGK Germany3
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。
  • P264+P265
  • 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
  • P301+P317
  • P302+P352
  • P304+P312
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Packing GroupIII
UN Number UN3439
Hazard Codes Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

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. Sulfonamides/Sulfinamides - Sulfur Compounds

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