1-nitro-4-phenoxybenzene 1-硝基-4-苯氧基苯

CAS 620-88-2 MFCD00007320

化学结构图

620-88-2
SMILES: O=[N+]([O-])c1ccc(Oc2ccccc2)cc1

化学属性

Mol. FormulaC12H9NO3
Mol. Weight215.20
Boiling Point320 °C at 760 mmHg
Melting Point53-56 °C
Flash Point>110°(230°F)
TSCAYes
Appearance 白色片状结晶。熔点61-61.5℃,沸点320℃,188-190℃(1.06kPa)。

别名和识别编码

Chemical Name1-nitro-4-phenoxybenzene
Synonym 1-Nitro-4-phenoxybenzene {LY} 1-Nitro-4-phenoxybenzene {} {LY} 1-Nitro-4-phenoxybenzene {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-phenoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitro-4-ph
MDL NumberMFCD00007320
CAS Number620-88-2
Beilstein Registry Number2051911
EC Number210-656-1
PubChem Substance ID12110
Chemical Name Translation1-硝基-4-苯氧基苯
Wiswesser Line NotationWNR DOR
Reaxys-RN2051911
LabNetwork Molecule IDLN02013796
InChIInChI=1S/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
Canonical SMILESC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 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: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1a Year: 1974 ISBN: 3-540-06269-6 ISB

安全信息

GHS Symbol
RTECSKO2680000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P337+P313
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H320 Causes eye irritation 刺激眼睛
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
Hazard Codes Xi
Safety Statements
  • 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;
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 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

Hazard Class9
UN Number 3077
Packing GroupIII
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

  • Sigma Aldrich:620-88-2(sigmaaldrich)
  • MOL 文件:620-88-2.mol
  • 方法一:将160g苯酚与80g氢氧化钾混合,加热至130-140℃使碱溶完。冷至100-110℃,加入0.5g活性铜粉及78.8g对硝基氯苯,搅拌加热至150-160℃,反应沸腾时加入氯化钾离析,停止加热,不再沸腾再加入78.8g对硝基氯苯,重复如前操作一次。将反应产物倾入50g氢氧化钠的1.5L冰水溶液中,除去酚,对硝基二苯醚沉淀析出,将滤集的粗品减压蒸馏,得173-177g成品,收率80-82%。
  • 上游原料:氢氧化钠 --> 氢氧化钾 --> 锌粉 --> 苯酚 --> 硫酸铜 --> 4-硝基氯苯 --> 活性铜粉
  • 用途一:有机合成中间体。
  • Hazard Note:Irritant
  • Alfa Aesar:4-硝基苯基二苯醚,99% 4-Nitrophenyl phenyl ether, 99%(620-88-2)

系列性分类


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