76702 <common-name>2,4-Dinitrophenetole</common-name> <description>2,4-Dinitrophenetole is an organic compound with the formula C8H8N2O5 and an average molecular weight of 212.16 g/mol. 2,4-Dinitrophenetole belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance has been found in or released from two recorded sources: food preservation within food, food processing and cookware, and fixed capacitors and their manufacture within electrical and electronic equipment.</description> <cas>610-54-8</cas> <pubchem-id>11887</pubchem-id> <chemical-formula>C8H8N2O5</chemical-formula> <weight>212.16</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">2026-04-04T07:01:06Z</created-at> <updated-at type="dateTime">2026-08-25T03:55:23Z</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>CCOC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O</moldb-smiles> <moldb-formula>C8H8N2O5</moldb-formula> <moldb-inchi>InChI=1S/C8H8N2O5/c1-2-15-8-4-3-6(9(11)12)5-7(8)10(13)14/h3-5H,2H2,1H3</moldb-inchi> <moldb-inchikey>YSOKMOXAGMIZFZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.161</moldb-average-mass> <moldb-mono-mass type="decimal">212.043321</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>7172</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>CHEM072595</chemdb-id> <dsstox-id>DTXSID3060588</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00034548</susdat-id> <iupac>1-ethoxy-2,4-dinitrobenzene</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>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0053942</sync-id> <structure-inchikey>YSOKMOXAGMIZFZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800200000000000000000000000001000000000400000000000002000000000000002000000000000000004000000000000000000000000000000000000000000000000000000020000000000100001800000000400000000000000000000200000000108000000000000000000000000000000000000000000040000000000000000000000000000000001000000000020000000420000000000000000000000000080000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000200000000000000420000000000000040000000000000000800001020000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBByAqAAAAAQMECCAqAAAA/wMBCAAoAAAAAwIHICoA AAABAwQIICoAAAD/AwEIACgAAAADAgsAAQABAgACAyADBGgMBAVoDAUGaAwG B2gMBwhoDAYJIAkKIAkLKAIEDCAMDSAMDigCCANoDEIBAAAABgMIBwYFBBcE AAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:36Z</structure-indexed-at> </compound>