Acetic acid, phenyl-, 2-chloroethyl ester

CAS 943-59-9 MFCD N/A

化学结构图

943-59-9
SMILES: O=C(Cc1ccccc1)OCCCl

化学属性

Mol. FormulaC10H11ClO2
Mol. Weight198.66

别名和识别编码

Synonym 2-Chloroethyl phenylacetate Phenyl-acetic acid 2-chloro-ethyl ester
Wiswesser Line NotationG2OV1R
Chemical NameAcetic acid, phenyl-, 2-chloroethyl ester
CAS Number943-59-9
Beilstein Registry Number1948802
InChIKeyIFAWZYKLULDJQC-UHFFFAOYSA-N
PubChem Substance ID13672
InChIInChI=1S/C10H11ClO2/c11-6-7-13-10(12)8-9-4-2-1-3-5-9/h1-5H,6-8H2
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分类

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

安全信息

RTECSAJ2625000
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 9,128,1957

系列性分类


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