1.0 2016-05-19 03:29:39 UTC 2026-08-20 01:44:21 UTC 12H-Phthaloperin-12-one, 8,9,10,11-tetrachloro- SmallMolecule 12H-Phthaloperin-12-one, 8,9,10,11-tetrachloro- is an organic compound with the formula C18H6Cl4N2O and an average molecular weight of 408.06 g/mol. 12H-Phthaloperin-12-one, 8,9,10,11-tetrachloro- belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This compound is used as an industrial pigment. It has been recorded in two sources: drinking water and water supply, as well as food contact materials used in food, food processing, and cookware. Recorded exposure routes for this substance include inhalation, oral ingestion, and touch. 8,9,10,11-tetrachloro-12H-phthaloperin-12-one C18H6Cl4N2O 408.06 405.9234236 5,6,7,8-tetrachloro-2,11-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),4(9),5,7,10,12,14,16(20),17-nonaen-3-one 5,6,7,8-tetrachloro-2,11-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),4(9),5,7,10,12,14,16(20),17-nonaen-3-one 20749-68-2 ClC1=C(Cl)C(Cl)=C(Cl)C2=C1C(=O)N1C2=NC2=CC=CC3=C2C1=CC=C3 InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H UBZVRROHBDDCQY-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Perimidines Aryl chlorides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Isoindolones Lactams Naphthalenes Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyrimidines and pyrimidine derivatives Vinylogous halides Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Isoindole or derivatives Isoindolone Lactam Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Perimidine Pyrimidine Vinylogous halide Aromatic heteropolycyclic compounds Detected and Not Quantified logp 5.9 logp 5.60 ALOGPS logs -6.30 ALOGPS solubility 2.04e-04 g/l ALOGPS logp 6.07 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 5,6,7,8-tetrachloro-2,11-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),4(9),5,7,10,12,14,16(20),17-nonaen-3-one ChemAxon average_mass 408.06 ChemAxon mono_mass 405.9234236 ChemAxon smiles ClC1=C(Cl)C(Cl)=C(Cl)C2=C1C(=O)N1C2=NC2=CC=CC3=C2C1=CC=C3 ChemAxon formula C18H6Cl4N2O ChemAxon inchi InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H ChemAxon inchikey UBZVRROHBDDCQY-UHFFFAOYSA-N ChemAxon polar_surface_area 32.67 ChemAxon refractivity 102.35 ChemAxon polarizability 38 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72263bc6e0> 88680 80017