3,4-Benzocoumarin 6H-苯并[c]苯并吡喃-6-酮

CAS 2005-10-9 MFCD00027376

化学结构图

2005-10-9
SMILES: O=c1oc2ccccc2c2ccccc12

化学属性

Mol. FormulaC13H8O2
Mol. Weight196.21
Melting Point94°C

别名和识别编码

Chemical Name3,4-Benzocoumarin
Synonym 3,4-Benzocoumarin {LY} 3,4-Benzocoumarin 6H-dibenzo(b,d)pyran-6-one 6H-dibenzo-(b,d)-pyran-6-one Benzo[c]chromen-6-one phenanthrene lactone {} {LY} 3,4-Benzocoumarin {} {} {LY} 3,4-Benzocoumarin {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4-Benzocoumarin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
InChIKeyTVKNXKLYVUVOCV-UHFFFAOYSA-N
Wiswesser Line NotationT B666 HOVJ
CAS Number2005-10-9
Beilstein Registry Number0140721
Chemical Name Translation6H-苯并[c]苯并吡喃-6-酮
LabNetwork Molecule IDLN00366813
PubChem Substance ID16173
InChIInChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
MDL NumberMFCD00027376
Canonical SMILESO=C1C2=CC=CC=C2C3=CC=CC=C3O1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 14ring; ester; lactone; 1fragment

相关文献及参考

  • 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 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.

安全信息

RTECSHP8680000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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#00026

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

系列性分类

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