1.0 2026-04-03 06:59:19 UTC 2026-08-25 06:24:06 UTC 4-Methylsulfonyl-2-nitrotoluene SmallMolecule 4-Methylsulfonyl-2-nitrotoluene is an organic compound with the chemical formula C8H9N1O4S1 and an average molecular weight of 215.22 g/mol. 4-Methylsulfonyl-2-nitrotoluene belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound has been identified in or released from 19 recorded sources across multiple sectors. Within drinking water and water supply, it is found in tap water, bottled water, desalinated water, and drinking water. It is present in aquatic systems and sediments, including seawater, freshwater, surface water, and groundwater. In the sector of wastewater, sanitation, and biosolids, the compound is detected in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Other recorded sources include irrigation water from agriculture and land management, as well as ballast water and bilge water from marine, shipping, and aquaculture operations. Additionally, it is associated with appliances, HVAC, and refrigerants, specifically appearing in water heaters and water coolers. Recorded exposure routes for 4-methylsulfonyl-2-nitrotoluene include oral, inhalation, and touch. PMT '1671-49-4 1-Methyl-4-(methylsulfonyl)-2-nitrobenzene 1-methyl-4-methylsulfonyl-2-nitrobenzene 1H-imidazole, 2-ethyl-5-methyl- 2-Nitro-4-Methylsulfonyl Toluene 2-Nitro-4-methylsulfonyltoluene 2758942 4-METHANESULFONYL-1-METHYL-2-NITROBENZENE 4-Methanesulfonyl-2-nitrotoluene 4-Methylsulfonyl-2-nitrotoluene 430-550-0 AC1LEJB5 AGN-PC-0JUY1W Benzene, 1-methyl-4-(methylsulfonyl)-2-nitro- BR-63548 KSC532K5R Methyl 3-nitro-p-tolyl sulfone Methyl 4-methyl-3-nitrophenyl sulfone OR-0230 SCHEMBL994972 ST002315 WS1&R D1 CNW [1671-49-4] C8H9N1O4S1 215.22 215.025229 1671-49-4 CC1=C(C=C(C=C1)S(C)(=O)=O)[N+]([O-])=O InChI=1S/C8H9NO4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3 OXBDLEXAVKAJFD-UHFFFAOYSA-N Detected and Not Quantified logp 1.7 average_mass 215.22 ChemAxon mono_mass 215.025229 ChemAxon smiles CC1=C(C=C(C=C1)S(C)(=O)=O)[N+]([O-])=O ChemAxon formula C8H9N1O4S1 ChemAxon inchi InChI=1S/C8H9NO4S/c1-6-3-4-7(14(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3 ChemAxon inchikey OXBDLEXAVKAJFD-UHFFFAOYSA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72261fb360> 687125 598731