78643 <common-name>3,5-Dinitrobenzyl alcohol</common-name> <description>3,5-Dinitrobenzyl alcohol belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the formula C7H6N2O5 and an average molecular weight of 198.13 g/mol.</description> <cas>71022-43-0</cas> <pubchem-id>116978</pubchem-id> <chemical-formula>C7H6N2O5</chemical-formula> <weight>198.13</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">2026-04-04T12:47:37Z</created-at> <updated-at type="dateTime">2026-08-24T05:53:38Z</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>OCC1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O</moldb-smiles> <moldb-formula>C7H6N2O5</moldb-formula> <moldb-inchi>InChI=1S/C7H6N2O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2</moldb-inchi> <moldb-inchikey>GPHYIQCSMDYRGJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.134</moldb-average-mass> <moldb-mono-mass type="decimal">198.027671</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>100284</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>CHEM074536</chemdb-id> <dsstox-id>DTXSID90221262</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037141</susdat-id> <iupac>(3,5-dinitrophenyl)methanol</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">74</paper-count> <sync-id>CED0020904</sync-id> <structure-inchikey>GPHYIQCSMDYRGJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000800000000000000000000000000000000002000000000000000000000000000800000040000000000000000000000000000000000000000000000000000000000000000000000020000000000000001000000000400000000000010000000640000000100000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000020000000000000000000000000080800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000400000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@h�������@(������@h�������@(������@h������� *������� *���ÿ����(������ *������� *���ÿ����(��������������h���h���h���h���h��� � � (��� �� � (���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:03Z</structure-indexed-at> </compound>