Azulene, 1,4-dimethyl-7-ethyl- -

CAS 529-05-5 MFCD00800984

化学结构图

529-05-5
SMILES: CCc1ccc(C)c2ccc(C)c-2c1

化学属性

Mol. FormulaC14H16
Mol. Weight184.28
Boiling Point
Flash Point-
Melting PointNo Data Available

别名和识别编码

Chemical NameAzulene, 1,4-dimethyl-7-ethyl-
Synonym 1,4-Dimethyl-7-ethylazulene 7-Ethyl-1,4-dimethylazulene 7-Ethyl-1,4-dimethylazulene Chamazulen Dimethulene 7-ethyl-1,4-dimethylazulene Azulene, 7-ethyl-1,4-dimethyl- BA 2784 Camazulene Chamazulen Chamazulene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number-
Beilstein Registry Number1306577
EC Number208-449-6
Wiswesser Line NotationL57J B1 F1 I2
CAS Number529-05-5
Chemical Name Translation-
PubChem Substance ID10719
InChIInChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
LabNetwork Molecule IDLN04680204
Canonical SMILES-
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分类

  • {SNA} A - D, Achillea, Alphabetical, Analytical Standards, Analytical/Chromatography, Chamomilla, Chromatography, Isoprenoids, Life Sciences Standards, Matricaria, Natural Compounds, Phytopharma Standards, Standards by Plant Genus, Substance Classification, Tanacetum
  • {SNA} A - D, Achillea, Additional Standards, Alphabetical Index of Phytochemical Standards, Analytical Standards, Chamomilla, Chromatography, Isoprenoids, Life Sciences Standards, Matricaria, Natural Compounds,

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: 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

安全信息

Hazard statements
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
WGK Germany3
RTECSCO4780000
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory depression
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   RRESA8 Rastitel'nye Resursy.  Plant Resources.  (V/O Mezhdunarodnaya Kniga,
   113095 Moscow, USSR) V.1-    1965-  Volume(issue)/page/year: 3,67,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RRESA8 Rastitel'nye Resursy.  Plant Resources.  (V/O Mezhdunarodnaya Kniga,
   113095 Moscow, USSR) V.1-    1965-  Volume(issue)/page/year: 3,67,1967

Storage condition N/A

系列性分类


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