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CHEBI:142287 - 2,3-dinitrotoluene

ChEBI IDCHEBI:142287
ChEBI Name2,3-dinitrotoluene
Stars
DefinitionA dinitrotoluene that is toluene in which the hydrogens at positions 2 and 3 have been replaced by nitro groups.
Last Modified21 September 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H6N2O4
Net Charge0
Average Mass182.135
Monoisotopic Mass182.03276
SMILESCc1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
InChIKeyDYSXLQBUUOPLBB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
explosive  A substance capable of undergoing rapid and highly exothermic decomposition.
ChEBI Ontology
Outgoing Relation(s)
2,3-dinitrotoluene (CHEBI:142287) has role explosive (CHEBI:63490)
2,3-dinitrotoluene (CHEBI:142287) is a dinitrotoluene (CHEBI:23822)
IUPAC Name 
1-methyl-2,3-dinitrobenzene
Synonym  Source
2,3-DNTChemIDplus
UniProt Name  Source
2,3-dinitrotolueneUniProt
Manual XrefsDatabases
CPD-18108MetaCyc
Registry NumbersSources
Reaxys:2212428Reaxys
CAS:602-01-7ChemIDplus
CAS:602-01-7NIST Chemistry WebBook
Citations