1.0 2016-05-22 03:50:55 UTC 2026-08-23 09:49:39 UTC 2-Bromo-4,6-dinitroaniline SmallMolecule 2-Bromo-4,6-dinitroaniline is an organic compound with the formula C6H4BrN3O4 and an average molecular weight of 262.02 g/mol. 2-Bromo-4,6-dinitroaniline belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. This compound has been identified in or released from one recorded source: electrical and electronic equipment, specifically discharge lamps. C6H4BrN3O4 262.019 260.938519 2-bromo-4,6-dinitroaniline 2-bromo-4,6-dinitroaniline 1817-73-8 NC1=C(Br)C=C(C=C1N(=O)=O)N(=O)=O InChI=1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2 KWMDHCLJYMVBNS-UHFFFAOYSA-N Detected and Not Quantified logp 2.1 logp 2.19 ALOGPS logs -3.83 ALOGPS solubility 3.87e-02 g/l ALOGPS logp 2.44 ChemAxon pka_strongest_acidic 12.55 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-bromo-4,6-dinitroaniline ChemAxon average_mass 262.019 ChemAxon mono_mass 260.938519 ChemAxon smiles NC1=C(Br)C=C(C=C1N(=O)=O)N(=O)=O ChemAxon formula C6H4BrN3O4 ChemAxon inchi InChI=1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2 ChemAxon inchikey KWMDHCLJYMVBNS-UHFFFAOYSA-N ChemAxon polar_surface_area 117.66 ChemAxon refractivity 53.03 ChemAxon polarizability 18.28 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225b02310> 15752 14979