2,4-Dinitrotoluene

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Systematic / IUPAC Name: 1-Methyl-2,4-dinitrobenzene

ID: Reference3099

Other Names: 1-Methyl-2,4-dinitro-benzene;
2,4-Dinitro-1-methylbenzene;
2,4-Dinitromethylbenzene;
2,4-Dinitrotoluol;
4-Methyl-1,3-dinitrobenzene ; more

Formula: C7H6N2O4

Class: Industrial Chemicals Textile Chemicals/Auxiliary/Dyes Extractables/Leachables

Spectral Data

2,4-Dinitrotoluene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/12/2015 8:25:45 AM
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Identificators

InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
InChI Key RMBFBMJGBANMMK-UHFFFAOYSA-N
Canonical SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
CAS 121142
Splash
Other Names 1-Methyl-2,4-dinitro-benzene;
2,4-Dinitro-1-methylbenzene;
2,4-Dinitromethylbenzene;
2,4-Dinitrotoluol;
4-Methyl-1,3-dinitrobenzene;
Benzene, 1-methyl-2,4-dinitro-;
Dinitrotoluene, 2,4-;
Dinitrotoluol;
Toluene, 2,4-dinitro-;
DNT;
2,4-DNT

In Other Databases

Wikipedia 2,4-Dinitrotoluene
ChemIDPlus 000121142; 001326416
PubChem 8461
ChemSpider 8150
ChEBI CHEBI:920
KEGG C11006