Acenaphthylen-1(2H)-one 1-苊酮

CAS 2235-15-6 MFCD00156651

化学结构图

2235-15-6
SMILES: O=C1Cc2cccc3cccc1c23

化学属性

Mol. FormulaC12H8O
Mol. Weight168.19
Boiling Point337.1°C at 760 mmHg
Melting Point122 °C
Density

别名和识别编码

Chemical NameAcenaphthylen-1(2H)-one
Synonym Acenaphthylen-1(2H)-one {LY} Acenaphthylen-1(2H)-one {} {LY} Acenaphthylen-1(2H)-one {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Acenaphthylen-1(2H)-one {} {} {} {} {} {} {} {}
CAS Number2235-15-6
Reaxys-RN972151
Beilstein Registry Number7(4)1354
PubChem Substance ID75229
MDL NumberMFCD00156651
Chemical Name Translation1-苊酮
InChIKeyJBXIOAKUBCTDES-UHFFFAOYSA-N
Wiswesser Line NotationL566 1A L CV DHJ
LabNetwork Molecule IDLN01259049
Canonical SMILESC1=CC2=C3C(=C1)CC(=O)C3=CC=C2
InChIInChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2
EC Number
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 11ring; ketone; 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: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keywor

安全信息

RTECSAB1070100 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#01783

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
GHS Symbol
UN Number
Hazard Codes
Signal word
WGK Germany
Safety Statements
Risk Statements
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.....
Packing Group
Hazard statements
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。

系列性分类

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