72323 <common-name>Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-</common-name> <description>Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro- belongs to the nitrophenols, a subclass of phenols within the organic compounds. This benzenoid compound has the formula C10H12N2O5 and an average molecular weight of 240.22 g/mol.</description> <cas>303-21-9</cas> <pubchem-id>9339</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">2026-04-03T21:38:45Z</created-at> <updated-at type="dateTime">2026-08-26T17:50:48Z</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=C(O)C(=C(C)C(=C1)[N+]([O-])=O)[N+]([O-])=O</moldb-smiles> <moldb-formula>C10H12N2O5</moldb-formula> <moldb-inchi>InChI=1S/C10H12N2O5/c1-5(2)7-4-8(11(14)15)6(3)9(10(7)13)12(16)17/h4-5,13H,1-3H3</moldb-inchi> <moldb-inchikey>XBCVBHKJVWVNID-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">240.215</moldb-average-mass> <moldb-mono-mass type="decimal">240.074622</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8975</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>CHEM068216</chemdb-id> <dsstox-id>DTXSID6059786</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00028894</susdat-id> <iupac>3-methyl-2,4-dinitro-6-propan-2-ylphenol</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">0</paper-count> <sync-id>CED0133198</sync-id> <structure-inchikey>XBCVBHKJVWVNID-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000400000000040000000000000000000200000000400080080001000000000000000002000000000000000002000000000000000000000040000000000000000000200000000000020000008000000001800000000400000000000010000000200000000100000000000000000000000000000000000000000000040000000000000000000000000000000001000000000000000000000000000000000000000000000080000000000000000001000000000000000001000000000000000002000000000000000000000000000002000000000000000000000000000000000000040000000000000000000001000000000000000000400</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBkAoAAAAAwQGQCgAAAADBAgAaAAAAAMBAQZAKAAAAAMEBkAo AAAAAwQGAGAAAAABAwZAKAAAAAMEBkBoAAAAAwMBByAqAAAAAQMECCAqAAAA /wMBCAAoAAAAAwIHICoAAAABAwQIICoAAAD/AwEIACgAAAADAgsAAQABAgAB AwADBGgMBAUgBAZoDAYHaAwHCAAHCWgMCQpoDAkLIAsMIAsNKAIGDiAODyAO ECgCCgNoDEIBAAAABgMKCQcGBBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:17Z</structure-indexed-at> </compound>