4-Nitrobenzyl acetate 乙酸对硝基苯甲酯

CAS 619-90-9 MFCD00024781

化学结构图

619-90-9
SMILES: CC(=O)OCc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC9H9NO4
Mol. Weight195.17
Melting Point76.0 to 79.0 deg-C

别名和识别编码

Chemical Name4-Nitrobenzyl acetate
Synonym p-Nitrobenzylacetate 4-Nitrobenzyl acetate Acetic acid 4-nitro-benzyl ester Benzenemethanol, 4-nitro-, acetate (ester) p-nitrobenzyl acetate
MDL NumberMFCD00024781
CAS Number619-90-9
Reaxys-RN2050722
PubChem Substance ID12094
Chemical Name Translation乙酸对硝基苯甲酯
InChIKeyQNXQLPUEZYZYFC-UHFFFAOYSA-N
Wiswesser Line NotationWNR D1OV1
LabNetwork Molecule IDLN01366398
InChIInChI=1S/C9H9NO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3
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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/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

RTECSDP0660000 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 200 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 348,137,1995

系列性分类

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