4-Methyl-2H-Chromen-2-One 4-甲基香豆素

CAS 607-71-6 MFCD00185474

化学结构图

607-71-6
SMILES: CC1=CC(=O)OC2C=CC=CC=21

化学属性

Mol. FormulaC10H8O2
Mol. Weight160.17
Boiling Point180 °C at 15 mmHg
Melting Point79.0-83.0 °C

别名和识别编码

Chemical Name4-Methyl-2H-Chromen-2-One
Synonym 4-Methyl-2H-chromen-2-one {LY} 4-Methyl-2H-chromen-2-one {} {LY} 4-Methyl-2H-chromen-2-one {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methyl-2H-chromen-2-one {} {} {} {}
EC Number210-141-1
CAS Number607-71-6
Wiswesser Line NotationT66 BOVJ E1
Beilstein Registry Number0121648
Chemical Name Translation4-甲基香豆素
LabNetwork Molecule IDLN02009576
Reaxys-RN121648
MDL NumberMFCD00185474
PubChem Substance ID354335221
Canonical SMILESCC1=CC(=O)OC2=CC=CC=C12
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; ester; lactone; 1fragment

相关文献及参考

  • Short: III/35C2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 2: Heterocycles Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C2 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41057-0 ISBN: 978-3-540-41057-7 Internet Resource: DOI:10.1007/b89252 RefComment: VIII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • 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 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount o

安全信息

RTECSGN7791000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1691 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 83,1124,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1088 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 76,186,1956

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。
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
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系列性分类

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