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3,4-Dinitrotoluene

View entire compound with spectra: 3 NMR, 5 FTIR, 1 Raman, 1 UV-Vis, and 7 MS (GC)

3,4-Dinitrotoluene
SpectraBase Compound ID KSPuPealTk0
InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
InChIKey INYDMNPNDHRJQJ-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C7H6N2O4
Exact Mass 182.032757 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7kqKErUeYrn
Name 3,4-Dinitrotoluene
Source of Sample Aldrich
Catalog Number 148121
CAS Registry Number 610-39-9
Classification Aromatic nitro and nitroso compounds
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O4
InChI InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
InChIKey INYDMNPNDHRJQJ-UHFFFAOYSA-N
Purity 99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Melt
Wiley ID SIAL_FTIR_1_1450