45239 <common-name>2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]carbamoyl]benzoic acid</common-name> <description>2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]carbamoyl]benzoic acid belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. With an average molecular weight of 877.12 g/mol, 2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]carbamoyl]benzoic acid is a heavy molecule. It possesses the chemical formula C22H6Cl4F17NO6S. This compound is found in or released from 13 recorded sources. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Other sources include synthetic textiles, carpets and rugs from the textiles, leather and furnishings sector, and food packaging from the food, food processing and cookware sector. Additionally, it is found in medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants from both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one more sector. Recorded exposure routes for this substance include inhalation, oral, and touch.</description> <cas>57589-83-0</cas> <pubchem-id>162831</pubchem-id> <chemical-formula>C22H6Cl4F17NO6S</chemical-formula> <weight>877.1</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">2016-06-03T11:46:26Z</created-at> <updated-at type="dateTime">2026-08-30T15:25:55Z</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(=O)C1=C(C(O)=NC2=CC(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=CC=C2)C(Cl)=C(Cl)C(Cl)=C1Cl</moldb-smiles> <moldb-formula>C22H6Cl4F17NO6S</moldb-formula> <moldb-inchi>InChI=1S/C22H6Cl4F17NO6S/c23-9-7(8(14(46)47)10(24)12(26)11(9)25)13(45)44-5-2-1-3-6(4-5)50-51(48,49)22(42,43)20(37,38)18(33,34)16(29,30)15(27,28)17(31,32)19(35,36)21(39,40)41/h1-4H,(H,44,45)(H,46,47)</moldb-inchi> <moldb-inchikey>MHLSLBDGGOWEJB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">877.12</moldb-average-mass> <moldb-mono-mass type="decimal">874.8398477</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>10.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>142950</chemspider-id> <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>CHEM044134</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>PubChem</stoff-ident-origin> <stoff-ident-id>SI00005108</stoff-ident-id> <susdat-id>NS00011426</susdat-id> <iupac>2,3,4,5-tetrachloro-6-[[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]carbamoyl]benzoic acid</iupac> <moldb-polar-surface-area>113.26</moldb-polar-surface-area> <moldb-refractivity>138.00280000000006</moldb-refractivity> <moldb-polarizability>55.554224080960125</moldb-polarizability> <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>1.5173862006269991</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.0548252904205806</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>6.22</moldb-alogps-logp> <moldb-alogps-logs>-5.21</moldb-alogps-logs> <moldb-alogps-solubility>5.44e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organohalogen compounds</superklass> <klass>Alkyl halides</klass> <subklass>Alkyl fluorides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0158313</sync-id> <structure-inchikey>MHLSLBDGGOWEJB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000002000000000000000000000000000000000000004000000000000200000020000000004000000000000000080040000000000000000100000600000200000000000002020000000000100000004000000000000000000012000000000000000100200001008000000001001080400000010000001000000000002840000000000000000000000000200000000004000000000000000000000000000000000080002002000000000040000080000000000000000000000000000020004000000000000000010040000000000000200000000000000000002000002000040040000000400800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAzAAAANAAAAIABCABoAAAAAwEBBgAoAAAA AwQIACgAAAADAgZAKAAAAAMEBkAoAAAAAwQGACgAAAADBAgAaAAAAAMBAQcA KAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAgAKAAAAAMCEAAgAAAA BggAKAAAAAMCCAAoAAAAAwIGACAAAAAECQAgAAAAAQkAIAAAAAEGACAAAAAE CQAgAAAAAQkAIAAAAAEGACAAAAAECQAgAAAAAQkAIAAAAAEGACAAAAAECQAg AAAAAQkAIAAAAAEGACAAAAAECQAgAAAAAQkAIAAAAAEGACAAAAAECQAgAAAA AQkAIAAAAAEGACAAAAAECQAgAAAAAQkAIAAAAAEGACAAAAAECQAgAAAAAQkA IAAAAAEJACAAAAABBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAA AwQRACAAAAABBkAoAAAAAwQRACAAAAABBkAoAAAAAwQRACAAAAABBkAoAAAA AwQRACAAAAABCwABIAECKAIBAyADBGgMBAUgBQYgBQcoAgcIIAgJaAwJCmgM CgsgCwwADA0IAgwOCAIMDwAPEAAPEQAPEgASEwASFAASFQAVFgAVFwAVGAAY GQAYGgAYGwAbHAAbHQAbHgAeHwAeIAAeIQAhIgAhIwAhJAAkJQAkJgAkJwAK KGgMKCloDCkqaAwEK2gMKywAKy1oDC0uAC0vaAwvMAAvMWgMMTIAMQNoDCoI aAxCAgAAAAYDMS8tKwQGCQooKSoIFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:12:36Z</structure-indexed-at> </compound>