Benzoic acid, p-nitrothio-, S-(p-tolyl) ester

CAS 28122-84-1 MFCD00024725

化学结构图

28122-84-1
SMILES: CC1C=CC(=CC=1)SC(=O)C1C=CC(=CC=1)[N+]([O-])=O

化学属性

Mol. FormulaC14H11NO3S
Mol. Weight273.32

别名和识别编码

Chemical NameBenzoic acid, p-nitrothio-, S-(p-tolyl) ester
Synonym S-(p-Tolyl) p-nitrothiobenzoate 4-Nitro-thiobenzoic acid S-p-tolyl ester 4-Nitro-thiobenzoic acid S-p-tolyl ester
Wiswesser Line NotationWNRVSR D1
CAS Number28122-84-1
Beilstein Registry Number2507646
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; thioester; 1fragment

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 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: LC Title: LiqCryst 4.6 - Database of Liquid Crystals Author: Vill, V. Year: 2005 Keyword: Flüssigkristalle; LCD; Phasenumwandlung Internet Resource: http://liqcryst.chemie.uni-hamburg.de/

安全信息

RTECSDH5942000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/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: 89,1179,1969

系列性分类

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