79331 <common-name>Ethanol, 2-[4-[2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethenyl]phenoxy]-</common-name> <description>Ethanol, 2-[4-[2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethenyl]phenoxy]- belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C15H11Cl6N3O2 and an average molecular weight of 477.97 g/mol.</description> <cas nil="true"/> <pubchem-id>174185</pubchem-id> <chemical-formula>C15H11Cl6N3O2</chemical-formula> <weight>478</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">2026-04-04T14:05:07Z</created-at> <updated-at type="dateTime">2026-08-28T10:57:18Z</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>OCCOC1=CC=C(C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C=C1</moldb-smiles> <moldb-formula>C15H11Cl6N3O2</moldb-formula> <moldb-inchi>InChI=1S/C15H11Cl6N3O2/c16-14(17,18)12-22-11(23-13(24-12)15(19,20)21)6-3-9-1-4-10(5-2-9)26-8-7-25/h1-6,25H,7-8H2/b6-3+</moldb-inchi> <moldb-inchikey>DYNCQGWLQDAERY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">477.97</moldb-average-mass> <moldb-mono-mass type="decimal">474.898243</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4946064</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>CHEM075224</chemdb-id> <dsstox-id>DTXSID4072863</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038053</susdat-id> <iupac>2-[4-[2-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethenyl]phenoxy]ethanol</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>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0178777</sync-id> <structure-inchikey>DYNCQGWLQDAERY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4004000000000000080000200200000000000000000000000000a000000000000000000000000200000000000002000000040000000000000004000000000000000000002000000900000000000000000000000010300000200000000000000000000110000001000000000020000000000000000000000020000000000000020000000000000000000000000000000800010000000000000000000000000000000000000000000000040080000000000000000080800000000000000000000000000000000000000000000000000000010000000000000000200000000000000000000000001000040000800000000000000000000000000000000004000</structure-fingerprint> 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