2,3-Dihydrophenanthren-4(1H)-one 2,3-二氢菲-4(1H)-酮

CAS 778-48-3 MFCD00028857

化学结构图

778-48-3
SMILES: O=C1CCCc2ccc3ccccc3c21

化学属性

Mol. FormulaC14H12O
Mol. Weight196.25
Melting Point69 °C
Boiling Point164-168 °C at 0.3 mmHg

别名和识别编码

Chemical Name1,2,3,4-Tetrahydrophenanthren-4-one
CAS Number778-48-3
Alfabeta NameDIHYDROPHENANTHRENONE H2341()---,
MDL NumberMFCD00028857
Synonym 2,3-Dihydrophenanthren-4(1H)-one {LY} 2,3-Dihydrophenanthren-4(1H)-one 4-keto-1,2,3,4-tetrahydrophenanthrene THP-4 cpd {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dihydrophenanthren-4(1H)-one {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2,3-二氢菲-4(1H)-酮
PubChem Substance ID240461
InChIInChI=1S/C14H12O/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-2,4,6,8-9H,3,5,7H2
LabNetwork Molecule IDLN00166662
Canonical SMILESO=C1CCCC2=C1C3=C(C=C2)C=CC=C3
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分类

  • Aromatics
  • Metabolites & Impurities
  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 6ring; 10ring; 14ring; ketone; 1fragment

产品应用

  • Biodegradation product of Phenanthrene.

相关文献及参考

  • Singleton, D., et al.: Environ. Microbiol., 8, 1736 (2006),
  • Sorensen, U., et al.: J. Med. Chem., 51, 7625 (2008),
  • 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: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H

安全信息

Warnings IRRITANT
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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.....

其他信息

  • MOL 文件:778-48-3.mol
  • Sigma Aldrich:778-48-3(sigmaaldrich)

系列性分类

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