1.0 2016-05-22 03:49:55 UTC 2026-08-23 11:44:07 UTC 2-Amino-4,6-dinitrophenol SmallMolecule 2-Amino-4,6-dinitrophenol belongs to the nitrophenols, a subclass of phenols within the organic compounds. This benzenoid compound has the chemical formula C6H5N3O5 and an average molecular weight of 199.12 g/mol. It is utilized industrially as a dye. The compound has been identified in 19 recorded sources across several sectors. Within aquatic systems and sediments, it is found in seawater, freshwater, surface water, and groundwater. It is present 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, the compound is recorded in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Additionally, it is found in appliances, HVAC, and refrigerants, specifically in water heaters and water coolers. In marine, shipping, and aquaculture environments, it occurs in bilge water and ballast water, while in agriculture and land management, it is found in irrigation water. Recorded exposure routes for 2-Amino-4,6-dinitrophenol include oral, inhalation, and touch. PMT C6H5N3O5 199.122 199.022920273 2-amino-4,6-dinitrophenol picramic acid 96-91-3 NC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2 QXYMVUZOGFVPGH-UHFFFAOYSA-N Organic compounds Benzenoids Phenols Nitrophenols Dinitrophenols Dinitroanilines Hydrocarbon derivatives Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organic zwitterions Organooxygen compounds Organopnictogen compounds Primary amines Propargyl-type 1,3-dipolar organic compounds o-Aminophenols Allyl-type 1,3-dipolar organic compound Amine Aminophenol Aniline or substituted anilines Aromatic homomonocyclic compound C-nitro compound Dinitroaniline Dinitrophenol Hydrocarbon derivative Monocyclic benzene moiety Nitroaromatic compound Nitrobenzene O-aminophenol Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Propargyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 0.9 logp 1.31 ALOGPS logs -2.76 ALOGPS solubility 3.44e-01 g/l ALOGPS logp 0.72 ChemAxon pka_strongest_acidic 5.27 ChemAxon pka_strongest_basic -0.25 ChemAxon iupac 2-amino-4,6-dinitrophenol ChemAxon average_mass 199.122 ChemAxon mono_mass 199.022920273 ChemAxon smiles NC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O ChemAxon formula C6H5N3O5 ChemAxon inchi InChI=1S/C6H5N3O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H,7H2 ChemAxon inchikey QXYMVUZOGFVPGH-UHFFFAOYSA-N ChemAxon polar_surface_area 132.53 ChemAxon refractivity 45.38 ChemAxon polarizability 15.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222d9fa08> 4921319 4103087