1-Benzyl-4-Nitrobenzene 1-苄基-4-硝基苯

CAS 1817-77-2 MFCD00024783

化学结构图

1817-77-2
SMILES: O=[N+]([O-])c1ccc(Cc2ccccc2)cc1

化学属性

Mol. FormulaC13H11NO2
Mol. Weight213.23
Density1.145 g/mL at 25 °C(lit.)
Boiling Point114-115 °C at 0.05 mmHg
Refractive indexn20/D 1.6040(lit.)
Melting Point31 °C

别名和识别编码

Chemical Name1-Benzyl-4-Nitrobenzene
Synonym 4-Nitrodiphenylmethane {LY} 4-Nitrodiphenylmethane {} {LY} 4-Nitrodiphenylmethane {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylmethane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitrodiphenylm
MDL NumberMFCD00024783
CAS Number1817-77-2
PubChem Substance ID137225
Beilstein Registry Number5(4)1852
Reaxys-RN1875552
Chemical Name Translation1-苄基-4-硝基苯
InChIKeyIDSGFSCSMXRJON-UHFFFAOYSA-N
InChIInChI=1S/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
LabNetwork Molecule IDLN01743408
Canonical SMILESO=N(=O)C1=CC=C(C=C1)CC=2C=CC=CC2
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

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

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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P333+P313
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Signal word Warning
GHS Symbol
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Hazard Codes Xi
Risk Statements
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Storage condition

系列性分类


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