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CHEBI:142285 - 3,4-dinitrotoluene

ChEBI IDCHEBI:142285
ChEBI Name3,4-dinitrotoluene
Stars
DefinitionA dinitrotoluene in which the methyl group is meta to one of the nitro groups and para to the other. A yellow crystalline compound that is virtually insoluble in water but dissolves in most organic solvents.
Last Modified4 July 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H6N2O4
Net Charge0
Average Mass182.135
Monoisotopic Mass182.03276
SMILESCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
InChIKeyINYDMNPNDHRJQJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
explosive  A substance capable of undergoing rapid and highly exothermic decomposition.
ChEBI Ontology
Outgoing Relation(s)
3,4-dinitrotoluene (CHEBI:142285) has role explosive (CHEBI:63490)
3,4-dinitrotoluene (CHEBI:142285) is a dinitrotoluene (CHEBI:23822)
IUPAC Name 
4-methyl-1,2-dinitrobenzene
Synonyms  Source
3,4-DNTNIST Chemistry WebBook
1-methyl-3,4-dinitrobenzeneChEBI
UniProt Name  Source
3,4-dinitrotolueneUniProt
Manual XrefsDatabases
CPD-18110MetaCyc
Registry NumbersSources
Reaxys:2213131Reaxys
CAS:610-39-9NIST Chemistry WebBook
CAS:610-39-9ChemIDplus
Citations