Bis(4-Nitrophenyl)Sulfone 二(对硝基苯)硫砜

CAS 1156-50-9 MFCD00010447

化学结构图

1156-50-9
SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

化学属性

Mol. FormulaC12H8N2O6S
Mol. Weight308.27
Melting Point178-185 °C
TSCAYes
Boiling Point541.1±35.0 °C at 760 mmHg

别名和识别编码

Chemical NameBis(4-Nitrophenyl)Sulfone
Synonym 4,4'-Sulfonylbis(nitrobenzene) {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4'-Sulfonylbis(nitrobenzene) {} {} {} {
MDL NumberMFCD00010447
CAS Number1156-50-9
EC Number214-589-9
Reaxys-RN2060993
Beilstein Registry Number6,340
PubChem Substance ID70871
Chemical Name Translation二(对硝基苯)硫砜
InChIKeyBVHNGWRPAFKGFP-UHFFFAOYSA-N
LabNetwork Molecule IDLN01741657
InChIInChI=1S/C12H8N2O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H
Canonical SMILESC1=C(C=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfone; 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.
  • 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

安全信息

RTECSWR4700000
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；
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
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   48,336,1952

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
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
  • 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。
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

系列性分类

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