Phenylsilatrane

CAS 2097-19-0 MFCD00053376

化学结构图

2097-19-0
SMILES: c1ccc([Si]23OCCN(CCO2)CCO3)cc1

化学属性

Mol. FormulaC12H17NO3Si
Mol. Weight251.39

别名和识别编码

Chemical Name2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane,1-phenyl-
Synonym 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane, 1-phenyl- Silatrane, phenyl- 1-Phenyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane 1-Phenylsilatrane 1-phenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane 1-Fenylosilatranu Phenylsilatrane Fenylsilatran
Wiswesser Line NotationT88 A B C AO DN GO-SI-OTJ HR
CAS Number2097-19-0
LabNetwork Molecule IDLN04617191
PubChem Substance ID16416
InChIInChI=1S/C12H17NO3Si/c1-2-4-12(5-3-1)17-14-9-6-13(7-10-15-17)8-11-16-17/h1-5H,6-11H2
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; other heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 6ring; 8ring; 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.
  • 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.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSYJ9050000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 38,1734,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1480 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,1237,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 330 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RCRVAB Russian Chemical Reviws (English Translation).  Translation of
   USKHAB.  (Royal Soc. of Chemistry, Distrib

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 300 ug/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   PACHAS Pure and Applied Chemistry.  (Pergamon Press Ltd., Headington Hill
   Hall, Oxford OX3 0BW, UK) V.1-    1960-  Volume(issue)/page/year: 13,35,1966

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous

系列性分类

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