1.0 2016-05-19 02:54:44 UTC 2026-08-23 10:09:20 UTC 1-Chloro-4-nitrobenzene SmallMolecule 1-Chloro-4-nitrobenzene belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C6H4ClNO2 and an average molecular weight of 157.55 g/mol. In industrial applications, it is used in the production of Polyethylene Terephthalate plastics. The compound is found in or released from 29 recorded sources across multiple sectors. Within the aquatic systems and sediments category, it is present in groundwater, seawater, freshwater, and surface water. It is also detected in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. In the sector of wastewater, sanitation, and biosolids, it is found in mine wastewater, industrial wastewater, wastewater treatment effluent, and unspecified wastewater. Additional sources include appliances, HVAC, and refrigerants, specifically water heaters and water coolers. It is associated with food, food processing, and cookware through food preservation, processing fish, and fermentation processes for beer. Furthermore, it is released from electrical and electronic equipment, including electrodes, fixed capacitors and their manufacture, hybrid capacitors, antennas, and conductors or conductive bodies characterised by the conductive materials. Five more sectors are recorded as sources. Human exposure to 1-chloro-4-nitrobenzene occurs through oral, inhalation, and touch routes. PMT Benzene, 1-chloro-4-nitro- Chloronitrobenzenes C6H4ClNO2 157.55 156.9930561 1-chloro-4-nitrobenzene p-chloronitrobenzene 100-00-5 ClC1=CC=C(C=C1)N(=O)=O InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H CZGCEKJOLUNIFY-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 an organic chloride an oxidized nitroaromatic compound Detected and Not Quantified logp 2.4 logp 2.56 ALOGPS logs -2.81 ALOGPS solubility 2.47e-01 g/l ALOGPS logp 2.52 ChemAxon iupac 1-chloro-4-nitrobenzene ChemAxon average_mass 157.55 ChemAxon mono_mass 156.9930561 ChemAxon smiles ClC1=CC=C(C=C1)N(=O)=O ChemAxon formula C6H4ClNO2 ChemAxon inchi InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H ChemAxon inchikey CZGCEKJOLUNIFY-UHFFFAOYSA-N ChemAxon polar_surface_area 45.82 ChemAxon refractivity 38.19 ChemAxon polarizability 13.48 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:0x00007f3baeca1c28> 7474 21106020