<common-name>3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide]</common-name> <description>3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide] belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 1,229 g/mol, 3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide] is a heavy molecule. It has the chemical formula C55H37Cl5F6N8O8. This compound is used as an industrial pigment. It has been recorded as being released from drinking water and water supply sources, specifically drinking water. The recorded exposure route for this substance is oral.</description> <cas>79953-85-8</cas> <pubchem-id>16131214</pubchem-id> <chemical-formula>C55H37Cl5F6N8O8</chemical-formula> <weight>1229.2</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">2016-06-03T13:26:37Z</created-at> <updated-at type="dateTime">2026-08-22T19:35:10Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> 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<iupac>4-chloro-3-[[1-[5-chloro-4-[[2-[[2-chloro-5-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide</iupac> <moldb-polar-surface-area>225.41999999999993</moldb-polar-surface-area> <moldb-refractivity>304.9699999999999</moldb-refractivity> <moldb-polarizability>113.92117429051032</moldb-polarizability> <moldb-rotatable-bond-count>20</moldb-rotatable-bond-count> <moldb-acceptor-count>12</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>3.697388975603019</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.7890787114652252</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>7</moldb-number-of-rings> <moldb-alogps-logp>8.57</moldb-alogps-logp> <moldb-alogps-logs>-6.79</moldb-alogps-logs> <moldb-alogps-solubility>2.00e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0105190</sync-id> <structure-inchikey>VOCMTGRPDQPZFA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400020000000000000000002000020000240020000000000400000800000800000040000000000002800000000020000240010000000000000000000000000000000000000004084000000000a0000000020002000000100000204000000000000000000014080000000010000100080000000001000000000000000000000400020000040020000000000000000000080000000000000000080000000080000000000002000000000000000084100000840000020040000000000000000200200000000000000000004400140008000400010004200002000000200000000000000008000000000040040800000004400800000000020000000000000000000</structure-fingerprint> 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78 79(�9: :;h�;< <= =>h�>?h�?@h�@A�@Bh�BCh�;Dh�DEh�EFh�FGh�FH�HI�HJ�HK�-L�LM�LN��)Oh�OPh�PQ��h��h�P%h��h�60h�G:h�C=h�B�� &')OP%�134560�>?@BC=�DEFG:;��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:13:42Z</structure-indexed-at> </compound>

46663 <common-name>3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide]</common-name> <description>3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide] belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 1,229 g/mol, 3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide] is a heavy molecule. It has the chemical formula C55H37Cl5F6N8O8. This compound is used as an industrial pigment. It has been recorded as being released from drinking water and water supply sources, specifically drinking water. The recorded exposure route for this substance is oral.</description> <cas>79953-85-8</cas> <pubchem-id>16131214</pubchem-id> <chemical-formula>C55H37Cl5F6N8O8</chemical-formula> <weight>1229.2</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">2016-06-03T13:26:37Z</created-at> <updated-at type="dateTime">2026-08-22T19:35:10Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> 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78 79(�9: :;h�;< <= =>h�>?h�?@h�@A�@Bh�BCh�;Dh�DEh�EFh�FGh�FH�HI�HJ�HK�-L�LM�LN��)Oh�OPh�PQ��h��h�P%h��h�60h�G:h�C=h�B�� &')OP%�134560�>?@BC=�DEFG:;��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:13:42Z</structure-indexed-at> </compound>