2-溴-1,3-二硝基苯 2-溴-1,3-二硝基苯

CAS 4185-79-9 MFCD N/A

化学结构图

4185-79-9
SMILES: O=[N+]([O-])c1cccc([N+](=O)[O-])c1Br

化学属性

Mol. FormulaC6H3BrN2O4
Mol. Weight247.00

别名和识别编码

Synonym 2-Bromo-1,3-Dinitrobenzene {LY} 2-Bromo-1,3-Dinitrobenzene {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1,3-Dinitrobenze
PubChem Substance ID13802438
InChIInChI=1S/C6H3BrN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H
CAS Number4185-79-9
Chemical Name Translation2-溴-1,3-二硝基苯
Canonical SMILES[O-][N+](=O)C1=CC=CC(=C1Br)[N+]([O-])=O
MDL NumberMFCD00626454
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分类

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

相关文献及参考

  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.

安全信息

Storage condition

系列性分类

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