1.0 2016-05-26 01:47:12 UTC 2026-04-14 18:09:47 UTC Rose bengal SmallMolecule Rose bengal is an organic compound with the chemical formula C20H4Cl4I4O5. Rose bengal belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. With an average molecular weight of 973.67 g/mol, Rose bengal is a heavy molecule. This substance is found in or released from 13 recorded sources across several categories. In the realm of healthcare, pharmaceuticals, and veterinary products, it is utilized as a diagnostic agent. It is also associated with food, food processing, and cookware, specifically in the processing of meats and the preparation of vinegar, wine, or sparkling wine, as well as cellar tools. Within the category of household cleaning and consumer products, it appears in bleaching agents, pipe accessories, cigar cigarettes, tobacco smoke filters, and non-electric simulated smoking devices. Additionally, it is found in electrical and electronic equipment, including antennas, video games, and electrically stimulated smoking devices. The recorded exposure route for this compound is ophthalmic. Human Neurotoxin C20H4Cl4I4O5 973.673 971.499157746 2,3,4,5-tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoic acid rose bengal 11121-48-5 OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C(O)=C(I)C=C12 InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32) VDNLFJGJEQUWRB-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Xanthenes 1-carboxy-2-haloaromatic compounds 2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Aryl chlorides Aryl iodides Benzoic acids Benzoyl derivatives Chlorobenzenes Cyclic ketones Halobenzoic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives O-iodophenols Organic oxides Organochlorides Organoiodides Oxacyclic compounds Vinylogous halides 1-carboxy-2-haloaromatic compound 2-halobenzoic acid 2-halobenzoic acid or derivatives 2-iodophenol 3-halobenzoic acid 3-halobenzoic acid or derivatives 4-halobenzoic acid 4-halobenzoic acid or derivatives Aromatic heteropolycyclic compound Aryl chloride Aryl halide Aryl iodide Benzenoid Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Chlorobenzene Cyclic ketone Halobenzene Halobenzoic acid Halobenzoic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoiodide Organooxygen compound Oxacycle Vinylogous halide Xanthene Aromatic heteropolycyclic compounds benzoic acids organoiodine compound phenols tetrachlorobenzene xanthene dye Detected and Not Quantified logp 6.02 ALOGPS logs -6.16 ALOGPS solubility 6.81e-04 g/l ALOGPS logp 9.26 ChemAxon pka_strongest_acidic 2.52 ChemAxon pka_strongest_basic 1.81 ChemAxon iupac 2,3,4,5-tetrachloro-6-(6-hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoic acid ChemAxon average_mass 973.673 ChemAxon mono_mass 971.499157746 ChemAxon smiles OC(=O)C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C(O)=C(I)C=C12 ChemAxon formula C20H4Cl4I4O5 ChemAxon inchi InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32) ChemAxon inchikey VDNLFJGJEQUWRB-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 176.05 ChemAxon polarizability 63.8 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72210e0660> DB11182 25473 23773