4-Methylchalcone 4-甲基查尔酮

CAS 4224-87-7 MFCD00027595

化学结构图

4224-87-7
SMILES: Cc1ccc(C=CC(=O)c2ccccc2)cc1

化学属性

Mol. FormulaC16H14O
Mol. Weight222.28

别名和识别编码

Chemical Name4-Methylchalcone
Synonym 4-Methylchalcone {LY} 4-Methylchalcone {} {LY} 4-Methylchalcone {} {} {LY} 4-Methylchalcone {} {} {} {LY} 4-Methylchalcone {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methylchalcone {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00027595
Chemical Name Translation4-甲基查尔酮
InChIKeyXNLFHCPVTULKIV-VAWYXSNFSA-N
CAS Number4224-87-7
Beilstein Registry Number1103740
PubChem Substance ID5375849
InChIInChI=1S/C16H14O/c1-13-7-9-14(10-8-13)11-12-16(17)15-5-3-2-4-6-15/h2-12H,1H3/b12-11+
Canonical SMILESO=C(C1=CC=CC=C1)/C=C/C2=CC=C(C)C=C2
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 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.

安全信息

RTECSUD5579490
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1946-  Volume(issue)/page/year:
   46,542,1991

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >75 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1946-  Volume(issue)/page/year:
   46,542,1991

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P312
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

系列性分类


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