1.0 2016-05-19 04:55:57 UTC 2026-08-23 09:15:35 UTC 2,4-Dinitrochlorobenzene SmallMolecule 2,4-Dinitrochlorobenzene is an organic compound with the formula C6H3ClN2O4 and an average molecular weight of 202.55 g/mol. 2,4-Dinitrochlorobenzene belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is identified as a member of the benzenoids superclass. The substance is found in or released from 34 recorded sources. These sources include aquatic systems and sediments such as seawater, freshwater, surface water, and groundwater, as well as drinking water and water supply sources including tap water, bottled water, desalinated water, and drinking water. It is present in wastewater, sanitation, and biosolids, specifically in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Other sources include food, food processing, and cookware—specifically processing fish, food preservation, and fermentation processes for beer—and appliances, HVAC, and refrigerants such as water heaters and water coolers. Additionally, it is associated with electrical and electronic equipment, including electrodes, electric switches, antennas, fixed capacitors, conductors or conductive bodies characterised by the conductive materials, and their manufacture, along with four other categories and five more sectors. Recorded exposure routes for 2,4-Dinitrochlorobenzene include oral, inhalation, and touch. In terms of biological interaction, there are two recorded protein targets for this compound: Glutathione S-transferase P (GSTP1) and Methylated-DNA--protein-cysteine methyltransferase (MGMT). PMT 1-Chlor-2,4-dinitrobenzol 1-Chloro-2,4-dinitrobenzene 1-chloro-2,4-dinitrobenzene 1-Chloro-2,4-Dinitrobenzene C6H3ClN2O4 202.552 201.978134301 1-chloro-2,4-dinitrobenzene Cdnb 97-00-7 ClC1=C(C=C(C=C1)N(=O)=O)N(=O)=O InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H VYZAHLCBVHPDDF-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Nitrobenzenes Nitrobenzenes Aryl chlorides Chlorobenzenes Hydrocarbon derivatives Nitroaromatic compounds Organic oxides Organic oxoazanium compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Allyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compound Aryl chloride Aryl halide C-nitro compound Chlorobenzene Halobenzene Hydrocarbon derivative Nitroaromatic compound Nitrobenzene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds C-nitro compound a small molecule monochlorobenzenes Detected and Not Quantified logp 2.46 logp 2.29 ALOGPS logs -3.74 ALOGPS solubility 3.66e-02 g/l ALOGPS logp 2.46 ChemAxon pka_strongest_acidic 19.94 ChemAxon iupac 1-chloro-2,4-dinitrobenzene ChemAxon average_mass 202.552 ChemAxon mono_mass 201.978134301 ChemAxon smiles ClC1=C(C=C(C=C1)N(=O)=O)N(=O)=O ChemAxon formula C6H3ClN2O4 ChemAxon inchi InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H ChemAxon inchikey VYZAHLCBVHPDDF-UHFFFAOYSA-N ChemAxon polar_surface_area 91.64 ChemAxon refractivity 45.51 ChemAxon polarizability 15.73 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:0x00007f3bae721910> DB11831 6 13868426 BE0001145 BE0000814