93602 <common-name>5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione</common-name> <description>5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C7H9BrO4 and an average molecular weight of 237.05 g/mol.</description> <cas>34817-42-0</cas> <pubchem-id>539539</pubchem-id> <chemical-formula>C7H9BrO4</chemical-formula> <weight nil="true"/> <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">2026-04-05T02:13:36Z</created-at> <updated-at type="dateTime">2026-04-05T02:13:36Z</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>CC1(C)OC(=O)C(C)(Br)C(=O)O1</moldb-smiles> <moldb-formula>C7H9BrO4</moldb-formula> <moldb-inchi>InChI=1/C7H9BrO4/c1-6(2)11-4(9)7(3,8)5(10)12-6/h1-3H3</moldb-inchi> <moldb-inchikey>XCOQDRFRYIKEMS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">237.049</moldb-average-mass> <moldb-mono-mass type="decimal">235.9684209</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM089495</chemdb-id> <dsstox-id>DTXSID20956297</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00055228</susdat-id> <iupac nil="true"/> <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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Ethers</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0148176</sync-id> <structure-inchikey>XCOQDRFRYIKEMS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000000000000000000000000000000000000020800000000000000000800000000000000400100000000000000000000000000000000000000000000000000000000000000148000000020000008001000000000000000000000000080000000020200000000000000000000000080000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGACAAAAAEBgBgAAAA AQMjACAAAAABBgAoAAAAAwQIACgAAAADAggAKAAAAAMCCwABAAECAAEDAAME IAQFKAIEBgAGBwAGCAAGCQAJCigCCQsgCwEAQgEAAAAGAQsJBgQDFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:35:16Z</structure-indexed-at> </compound>