43798 <common-name>Tetrabromobisphenol A bis(glycidyl) ether</common-name> <description nil="true"/> <cas>3072-84-2</cas> <pubchem-id>62250</pubchem-id> <chemical-formula>C21H20Br4O4</chemical-formula> <weight>656.0</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">2016-06-03T10:06:01Z</created-at> <updated-at type="dateTime">2026-04-17T16:45:11Z</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>CC(C)(C1=CC(Br)=C(OCC2CO2)C(Br)=C1)C1=CC(Br)=C(OCC2CO2)C(Br)=C1</moldb-smiles> <moldb-formula>C21H20Br4O4</moldb-formula> <moldb-inchi>InChI=1S/C21H20Br4O4/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14/h3-6,13-14H,7-10H2,1-2H3</moldb-inchi> <moldb-inchikey>ZJRAAAWYHORFHN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">656.003</moldb-average-mass> <moldb-mono-mass type="decimal">651.809511</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>56055</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>CHEM042693</chemdb-id> <dsstox-id>DTXSID0052700</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>NORMAN list of candidate emerging substance - October 2013</stoff-ident-origin> <stoff-ident-id>SI00000894</stoff-ident-id> <susdat-id>NS00002093</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>43.519999999999996</moldb-polar-surface-area> <moldb-refractivity>136.2203</moldb-refractivity> <moldb-polarizability>51.206669325707026</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-3.822367302045326</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>6.77</moldb-alogps-logp> <moldb-alogps-logs>-7.12</moldb-alogps-logs> <moldb-alogps-solubility>4.99e-05 g/l</moldb-alogps-solubility> </compound>