4-Chloro-3,5-dinitrotoluene 4-氯-3,5-二硝基甲苯

CAS 5264-65-3 MFCD00060535

化学结构图

5264-65-3
SMILES: Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1

化学属性

Mol. FormulaC7H5ClN2O4
Mol. Weight216.58
Melting Point114-116°

别名和识别编码

Chemical Name4-Chloro-3,5-dinitrotoluene
CAS Number5264-65-3
Alfabeta NameCHLORODINITROTOLUENE 435---,
MDL NumberMFCD00060535
Synonym 4-氯-3,5-二硝基甲苯 4-CHLORO-3,5-DINITROTOLUENE 4-chloro-3,5-dinitrotoluene 2-Chloro-5-methyl-1,3-dinitrobenzene
Chemical Name Translation4-氯-3,5-二硝基甲苯
EC Number226-080-9
InChIKeyJMDVARRGYWIJGZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN01996681
PubChem Substance ID78918
InChIInChI=1S/C7H5ClN2O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3
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分类

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

相关文献及参考

  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
  • 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.e

安全信息

Warnings IRRITANT, IRRITANT-HARMFUL
Hazard Codes Xi
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害

其他信息

  • Hazard Note:Irritant
  • MOL 文件:5264-65-3.mol

系列性分类

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