13741 <common-name>2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-</common-name> <description>2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy- belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. With an average molecular weight of 828.91 g/mol, 2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy- is a heavy molecule. It has the chemical formula C40H23Cl5N6O4 and is classified as a benzenoid superclass compound. In industrial applications, this substance serves as a pigment. It is utilized in a variety of plastics, including high-density polyethylene, low-density polyethylene, polypropylene, polystyrene, polyvinyl chloride, polyethylene terephthalate, polyamide, polyurethane, polycarbonate, and acrylonitrile butadiene styrene. Regarding environmental presence, the compound has been identified in one recorded source: drinking water and water supply (drinking water). The recorded exposure route for this substance is oral.</description> <cas>5280-78-4</cas> <pubchem-id>111058</pubchem-id> <chemical-formula>C40H23Cl5N6O4</chemical-formula> <weight>828.9</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">2016-05-19T03:59:04Z</created-at> <updated-at type="dateTime">2026-08-22T14:00:01Z</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>OC(=NC1=CC(Cl)=C(C=C1)N=C(O)C1=CC2=CC=CC=C2\C(=N/NC2=C(Cl)C=CC(Cl)=C2)C1=O)C1=CC2=CC=CC=C2\C(=N/NC2=C(Cl)C=CC(Cl)=C2)C1=O</moldb-smiles> <moldb-formula>C40H23Cl5N6O4</moldb-formula> <moldb-inchi>InChI=1S/C40H23Cl5N6O4/c41-22-9-12-29(43)33(17-22)48-50-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)46-24-11-14-32(31(45)19-24)47-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)51-49-34-18-23(42)10-13-30(34)44/h1-19,48-49H,(H,46,54)(H,47,55)/b50-35+,51-36+</moldb-inchi> <moldb-inchikey>QCLKBJKESKISHE-ZRFMCYSTSA-N</moldb-inchikey> <moldb-average-mass type="decimal">828.91</moldb-average-mass> <moldb-mono-mass type="decimal">826.0223417</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>13.2</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>CHEM012636</chemdb-id> <dsstox-id>DTXSID3063756</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008054</stoff-ident-id> <susdat-id>NS00045408</susdat-id> <iupac>N-[3-chloro-4-[[4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide</iupac> <moldb-polar-surface-area>148.1</moldb-polar-surface-area> <moldb-refractivity>223.9848</moldb-refractivity> <moldb-polarizability>83.51776275219527</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>2.0866327164582703</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.8674378843090973</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>7</moldb-number-of-rings> <moldb-alogps-logp>6.75</moldb-alogps-logp> <moldb-alogps-logs>-6.75</moldb-alogps-logs> <moldb-alogps-solubility>1.49e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalenecarboxylic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0153327</sync-id> <structure-inchikey>QCLKBJKESKISHE-ZRFMCYSTSA-N</structure-inchikey> 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