86439 <common-name>Barium 5-[(2-chlorophenyl)azo]-6-hydroxynaphthalene-2-sulphonate</common-name> <description>Barium 5-[(2-chlorophenyl)azo]-6-hydroxynaphthalene-2-sulphonate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is classified as a benzenoid with the chemical formula C16H11ClN2O4S. With an average molecular weight of 860.88 g/mol, Barium 5-[(2-chlorophenyl)azo]-6-hydroxynaphthalene-2-sulphonate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>79972</pubchem-id> <chemical-formula>C16H11ClN2O4S</chemical-formula> <weight>362.8</weight> <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">2026-04-04T21:34:53Z</created-at> <updated-at type="dateTime">2026-08-28T16:21:31Z</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>[Ba++].OC1=CC=C2C=C(C=CC2=C1N=NC1=CC=CC=C1Cl)S([O-])(=O)=O.OC1=CC=C2C=C(C=CC2=C1N=NC1=C(Cl)C=CC=C1)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C16H11ClN2O4S</moldb-formula> <moldb-inchi>InChI=1/2C16H11ClN2O4S.Ba/c2*17-13-3-1-2-4-14(13)18-19-16-12-7-6-11(24(21,22)23)9-10(12)5-8-15(16)20;/h2*1-9,20H,(H,21,22,23);/q;;+2/p-2</moldb-inchi> <moldb-inchikey>LFHHQQPDUWHUAA-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">860.88</moldb-average-mass> <moldb-mono-mass type="decimal">362.0128055</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</logp> <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>CHEM082332</chemdb-id> <dsstox-id>DTXSID0064040</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00046778</susdat-id> <iupac>5-[(2-chlorophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid</iupac> <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>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0150518</sync-id> <structure-inchikey>LFHHQQPDUWHUAA-UHFFFAOYSA-L</structure-inchikey> <structure-fingerprint>2000000000000000000000000000800002000000000080100000000000000000000000000001040000020002000000000000000000000000000000000000000000000000400000000000002000000020000000000000001004000000000000000000010000100800000000100000000000001000000000020000000000000000000000000000800000000000000000000000000100000000000000000000000008040000000000040000280000000000000000008000180001010000000000000000000000002100000000000000400010000000000004000200000000000000000000000801000040000000000000000000000400000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAxAAAANAAAAIABOCAKAAAAAgEIAGgAAAAD AQEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMB BkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBwAo AAAAAwMHACgAAAADAwZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQRACAAAAABEAAgAAAABgggIgAAAP8BCAAo AAAAAwIIACgAAAADAggAaAAAAAMBAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAKAAAAAMEBkAoAAAAAwQHACgAAAADAwcAKAAAAAMDBkAoAAAAAwQGQCgA AAADBBEAIAAAAAEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEQACAAAAAGCCAiAAAA/wEIACgAAAADAggAKAAAAAMCCwECIAIDaAwDBGgM BAVoDAUGaAwGB2gMBwhoDAgJaAwJCmgMCgtoDAsMIAwNKAINDiAOD2gMDxBo DBARaAwREmgMEhNoDBMUAAcVABUWABUXCAIVGAgCGRogGhtoDBscaAwcHWgM HR5oDB4faAwfIGgMICFoDCEiaAwiI2gMIyQgJCUoAiUmICYnaAwnKAAnKWgM KSpoDCoraAwrLGgMHy0ALS4ALS8IAi0wCAILAmgMEw5oDCMaaAwsJmgMCgVo DCIdaAxCBgAAAAYCCwoFBAMGBgcICQoFBg8QERITDgYaIyIdHBsGHh8gISId BicpKissJhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:30:52Z</structure-indexed-at> </compound>