1.0 2016-05-22 04:04:00 UTC 2026-08-24 04:45:04 UTC 2-Chloro-1-methyl-4-nitrobenzene SmallMolecule 2-Chloro-1-methyl-4-nitrobenzene (C7H6ClNO2) is an organic compound with an average molecular weight of 171.58 g/mol. 2-Chloro-1-methyl-4-nitrobenzene belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound has been identified in or released from 27 recorded sources. These sources span several sectors, including electrical and electronic equipment, such as electrodes, amplifiers, auxiliary devices, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials. It is found in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. Within aquatic systems and sediments, it is present in groundwater, surface water, seawater, and freshwater. It is also detected in wastewater, sanitation, and biosolids, specifically in industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Additional sources include marine, shipping, and aquaculture sectors, such as bilge water and ballast water, as well as appliances, HVAC, and refrigerants, including water heaters and water coolers. Recorded routes of exposure for this substance include touch, oral, and inhalation. PMT 2-chloro-4-nitrotoluene C7H6ClNO2 171.58 171.0087061 2-chloro-1-methyl-4-nitrobenzene 2-chloro-4-nitrotoluene 121-86-8 CC1=C(Cl)C=C(C=C1)N(=O)=O InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3 LLYXJBROWQDVMI-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Nitrobenzenes Nitrobenzenes Aryl chlorides Chlorobenzenes Hydrocarbon derivatives Nitroaromatic compounds Nitrotoluenes 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 Nitrotoluene 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 Toluene Aromatic homomonocyclic compounds Detected and Not Quantified logp 3.4 logp 2.93 ALOGPS logs -3.26 ALOGPS solubility 9.45e-02 g/l ALOGPS logp 3.03 ChemAxon iupac 2-chloro-1-methyl-4-nitrobenzene ChemAxon average_mass 171.58 ChemAxon mono_mass 171.0087061 ChemAxon smiles CC1=C(Cl)C=C(C=C1)N(=O)=O ChemAxon formula C7H6ClNO2 ChemAxon inchi InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3 ChemAxon inchikey LLYXJBROWQDVMI-UHFFFAOYSA-N ChemAxon polar_surface_area 45.82 ChemAxon refractivity 43.23 ChemAxon polarizability 15.48 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222ab96b8> 8491 8178