1.0 2016-05-19 04:05:44 UTC 2026-08-24 05:51:55 UTC 2,3-Dinitrotoluene SmallMolecule 2,3-Dinitrotoluene is an organic compound with the formula C7H6N2O4 and an average molecular weight of 182.13 g/mol. 2,3-Dinitrotoluene belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. The compound has been identified in or released from 27 recorded sources. These include electrical and electronic equipment, specifically relays, hybrid capacitors, electric switches, emergency protective devices, conductors or conductive bodies characterised by the conductive materials, and one additional source. It is found in drinking water and water supply systems, including tap water, bottled water, desalinated water, and drinking water. It is also present in aquatic systems and sediments, such as freshwater, seawater, surface water, and groundwater. Further sources include wastewater, sanitation, and biosolids, comprising industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. In the sector of appliances, HVAC, and refrigerants, it is associated with water heaters and water coolers. Additionally, it is found in marine, shipping, and aquaculture sources, specifically bilge water and ballast water, along with four more sectors. Recorded exposure routes for 2,3-Dinitrotoluene include touch, oral, and inhalation. PMT 1-methyl-2,3-dinitrobenzene C7H6N2O4 182.135 182.032756681 1-methyl-2,3-dinitrobenzene 2,3-dinitrotoluene 602-01-7 CC1=C(C(=CC=C1)N(=O)=O)N(=O)=O InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3 DYSXLQBUUOPLBB-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Toluenes Dinitrotoluenes Hydrocarbon derivatives Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Allyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compound C-nitro compound Dinitrotoluene Hydrocarbon derivative Nitroaromatic compound Nitrobenzene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 1.9 logp 1.88 ALOGPS logs -3.28 ALOGPS solubility 9.49e-02 g/l ALOGPS logp 2.37 ChemAxon iupac 1-methyl-2,3-dinitrobenzene ChemAxon average_mass 182.135 ChemAxon mono_mass 182.032756681 ChemAxon smiles CC1=C(C(=CC=C1)N(=O)=O)N(=O)=O ChemAxon formula C7H6N2O4 ChemAxon inchi InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3 ChemAxon inchikey DYSXLQBUUOPLBB-UHFFFAOYSA-N ChemAxon polar_surface_area 91.64 ChemAxon refractivity 45.75 ChemAxon polarizability 15.42 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226951560> 11761 11268