3,5-dinitrotoluene

• CAT Number: M004374
• CAS Number: 618-85-9
• Molecular Formula: C7H6N2O4
• Molecular Weight: 182.135
• Purity: ≥95%
• Synonyms: Benzene, 1-methyl-3,5-dinitro-;1-METHYL-3,5-DINITROBENZENE;3,5-DNT;5-Methyl-1,3-dinitrobenzene;NSC 87348
• Storage: -20°C
• IUPAC Name: 1-methyl-3,5-dinitrobenzene
• InChI: InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3
• InChIKey: RUIFULUFLANOCI-UHFFFAOYSA-N
• SMILES: CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Reference

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