277936 <common-name>4-butan-2-yl-2,6-dinitrophenol</common-name> <description>4-butan-2-yl-2,6-dinitrophenol belongs to the nitrophenols, a subclass of phenols within the organic compounds. It is classified as a benzenoid with the chemical formula C10H12N2O5. This compound has an average molecular weight of 240.21 g/mol.</description> <cas>4097-48-7</cas> <pubchem-id>521019</pubchem-id> <chemical-formula>C10H12N2O5</chemical-formula> <weight>240.21</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">2026-08-26T17:50:46Z</created-at> <updated-at type="dateTime">2026-08-26T17:50:46Z</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>CCC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C10H12N2O5</moldb-formula> <moldb-inchi>InChI=1S/C10H12N2O5/c1-3-6(2)7-4-8(11(14)15)10(13)9(5-7)12(16)17/h4-6,13H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>WJRXGXYMRWUFQF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">240.0746215</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</logp> <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>CHEM273829</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-butan-2-yl-2,6-dinitrophenol</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>Phenols</klass> <subklass>Nitrophenols</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0230050</sync-id> <structure-inchikey>WJRXGXYMRWUFQF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000200000000000000000001002000000000000102000000000000000000000000000000000000200000000000000000000000000000000000020000000000000001800000000400000000000010000000200000000100000000000000000000008000000000000000000000040000000000000000000100000000000001000000000000000000000008000000000000000000400080000000000000000000000000000000000000000800080000000002000000000000000000000000000000000000000000000000000000000000200000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAQMGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkAo AAAAAwQGQCgAAAADBAZAaAAAAAMDAQcgKgAAAAEDBAgAKAAAAAMCCCAqAAAA /wMBCABoAAAAAwEBByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwELAAEAAQIA AgMAAgQABAVoDAUGaAwGB2gMBwhoDAgJaAwICiAKCygCCgwgBw0gBg4gDg8o Ag4QIAkEaAxCAQAAAAYECQgHBgUXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:53:36Z</structure-indexed-at> </compound>