(4-Nitrophenyl)(Phenyl)Sulfane 4-硝基苯基苯硫

CAS 952-97-6 MFCD00024700

化学结构图

952-97-6
SMILES: O=[N+]([O-])c1ccc(Sc2ccccc2)cc1

化学属性

Mol. FormulaC12H9NO2S
Mol. Weight231.27
Melting Point54-57 °C
TSCANo

别名和识别编码

Chemical Name(4-Nitrophenyl)(Phenyl)Sulfane
CAS Number952-97-6
Alfabeta NameNITROPHENYLPHENYLSULFIDE 4-
MDL NumberMFCD00024700
Synonym 4-Nitrophenyl phenyl sulfide {LY} 4-Nitrophenyl phenyl sulfide {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrophenyl phenyl sulfide {} {} {}
PubChem Substance ID13720
EC Number213-462-5
Chemical Name Translation4-硝基苯基苯硫
InChIKeyRJCBYBQJVXVVKB-UHFFFAOYSA-N
Wiswesser Line NotationWNR DSR
Beilstein Registry Number1912782
LabNetwork Molecule IDLN00111869
InChIInChI=1S/C12H9NO2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
Canonical SMILESO=N(=O)C1=CC=C(SC=2C=CC=CC2)C=C1
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分类

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

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

WGK Germany3
GHS Symbol
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。
  • P305+P351+P338
Signal word Warning
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
RTECSWQ5620000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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
Hazard Codes Xi 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 67,123,1979

Storage condition

其他信息

  • Acros Organics:4-Nitrophenyl phenyl sulfide, 98%(952-97-6)
  • Sigma Aldrich:952-97-6(sigmaaldrich)
  • Hazard Note:Irritant
  • MOL 文件:952-97-6.mol
  • Alfa Aesar:4－硝基苯基苯硫,98% 4-Nitrophenyl phenyl sulfide, 98%(952-97-6)
  • 4-硝基苯基苯硫价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 181170050 4-硝基苯基苯硫 4-Nitrophenyl phenyl sulfide 98% 5 GR 773元 2010/06/21 181170250 4-硝基苯基苯硫 4-Nitrophenyl phenyl sulfide 98% 25 GR 2814元 2010/05/25 A17278 4－硝基苯基苯硫, 98% 4-Nitrophenyl phenyl sulfide, 98% 5g 655元

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. Sulfides/Disulfides - Sulfur Compounds

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