1.0 2016-05-22 03:46:37 UTC 2026-05-14 19:31:04 UTC Sulfobromophthalein SmallMolecule Sulfobromophthalein (C20H8Br4Na2O10S2) is an organoheterocyclic compound. Sulfobromophthalein belongs to the benzofuranones, a subclass of benzofurans within the organic compounds. With an average molecular weight of 837.99 g/mol, Sulfobromophthalein is a heavy molecule. This compound has been identified in or released from one recorded source: antennas within electrical and electronic equipment. Phenolic Antioxidant C20H8Br4Na2O10S2 837.99 833.608779 disodium 2-sulfo-4-[4,5,6,7-tetrabromo-1-(4-oxido-3-sulfophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzen-1-olate disodium 2-sulfo-4-[4,5,6,7-tetrabromo-1-(4-oxido-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenolate 71-67-0 [Na+].[Na+].OS(=O)(=O)C1=C([O-])C=CC(=C1)C1(OC(=O)C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC(=C([O-])C=C1)S(O)(=O)=O InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2 GHAFORRTMVIXHS-UHFFFAOYSA-L Organic compounds Organoheterocyclic compounds Benzofurans Benzofuranones Benzofuranones 1-sulfo,2-unsubstituted aromatic compounds Aryl bromides Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic metal halides Organic oxides Organic sodium salts Organobromides Organooxygen compounds Organosulfonic acids Oxacyclic compounds Phenoxides Phthalides Sulfonyls Vinylogous halides 1-sulfo,2-unsubstituted aromatic compound Aromatic heteropolycyclic compound Aryl bromide Aryl halide Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Benzenoid Benzofuranone Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Isobenzofuranone Isocoumaran Lactone Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic alkali metal salt Organic metal halide Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic sulfonic acid or derivatives Organobromide Organohalogen compound Organooxygen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Oxacycle Phenoxide Phthalide Sulfonyl Vinylogous halide Aromatic heteropolycyclic compounds 2-benzofurans organic sodium salt organobromine compound Detected and Not Quantified logp 7.09 logp 1.53 ALOGPS logs -5.28 ALOGPS solubility 4.38e-03 g/l ALOGPS logp 7.09 ChemAxon pka_strongest_acidic -3.4 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac disodium 2-sulfo-4-[4,5,6,7-tetrabromo-1-(4-oxido-3-sulfophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzen-1-olate ChemAxon average_mass 837.99 ChemAxon mono_mass 833.608779 ChemAxon smiles [Na+].[Na+].OS(=O)(=O)C1=C([O-])C=CC(=C1)C1(OC(=O)C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC(=C([O-])C=C1)S(O)(=O)=O ChemAxon formula C20H8Br4Na2O10S2 ChemAxon inchi InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2 ChemAxon inchikey GHAFORRTMVIXHS-UHFFFAOYSA-L ChemAxon polar_surface_area 181.16 ChemAxon refractivity 163.87 ChemAxon polarizability 55.32 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72224bf6e0> DB13215 6282