92499 <common-name>2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol</common-name> <description>2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the formula C16H12Cl8N2O2. With an average molecular weight of 547.88 g/mol, 2,2'-(2,2',3,3',5,5',6,6'-Octachlorobiphenyl-4,4'-ylenediimino)diethanol is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>85119</pubchem-id> <chemical-formula>C16H12Cl8N2O2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T01:35:44Z</created-at> <updated-at type="dateTime">2026-04-05T01:35:44Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>OCCNC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C1=C(Cl)C(Cl)=C(NCCO)C(Cl)=C1Cl</moldb-smiles> <moldb-formula>C16H12Cl8N2O2</moldb-formula> <moldb-inchi>InChI=1/C16H12Cl8N2O2/c17-7-5(8(18)12(22)15(11(7)21)25-1-3-27)6-9(19)13(23)16(26-2-4-28)14(24)10(6)20/h25-28H,1-4H2</moldb-inchi> <moldb-inchikey>IQQMBEJKKYHXKS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">547.88</moldb-average-mass> <moldb-mono-mass type="decimal">543.8406991</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM088392</chemdb-id> <dsstox-id>DTXSID10935859</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00053927</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0110645</sync-id> <structure-inchikey>IQQMBEJKKYHXKS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000800000000000010000000002000000000000000000000000000000020000000400000000000000000000004000000000000000000000400000000000000000000000001000000000000010000000000000000000010000000002000000000000000000000000000000000000000010000000000000000000002000000000000080000000000000000000000000000000000000000000000000000000080000000080000000000000000000000000000000000000000000000000000000000000000010200000000000001000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������h�������@(������@(������� �����@(������� �����@(������@(������� �����@(������� �����@(������@(������� �����@(������� �����@(�������h��������`�������`�������`������@(������� �����@(������� ���������������� ��h������h����� h� h� �� �h�� � � ��h������h������h��� �����������h������h������h���h�B������� �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:34:34Z</structure-indexed-at> </compound>