62990 <common-name>Ethanol, 2-(4-amino-3-nitrophenoxy)-</common-name> <description>Ethanol, 2-(4-amino-3-nitrophenoxy)- is an organic compound with the formula C8H10N2O4 and an average molecular weight of 198.18 g/mol. It is utilized as an industrial dye. Ethanol, 2-(4-amino-3-nitrophenoxy)- belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified within the superclass of benzenoids.</description> <cas>50982-74-6</cas> <pubchem-id>148519</pubchem-id> <chemical-formula>C8H10N2O4</chemical-formula> <weight>198.18</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">2026-04-02T22:54:38Z</created-at> <updated-at type="dateTime">2026-08-24T11:27:22Z</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>NC1=C(C=C(OCCO)C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C8H10N2O4</moldb-formula> <moldb-inchi>InChI=1S/C8H10N2O4/c9-7-2-1-6(14-4-3-11)5-8(7)10(12)13/h1-2,5,11H,3-4,9H2</moldb-inchi> <moldb-inchikey>UTHUZYBSSBFPES-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.178</moldb-average-mass> <moldb-mono-mass type="decimal">198.064057</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>130922</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>CHEM058883</chemdb-id> <dsstox-id>DTXSID70198983</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00013888</susdat-id> <iupac>2-(4-amino-3-nitrophenoxy)ethanol</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>CED0050382</sync-id> <structure-inchikey>UTHUZYBSSBFPES-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000000000000000000000002000000000000000000000000200000002000000000000000000000000000005000000000000000000000000000000000000000000020000000000100001a00000000400000000000010000000200000000100000000200000000000000000000000000000020000000000000000000000000000000801000001000000000000000000020000000000000000000200040080000000000000000084000000000040000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000000000001000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBwBoAAAAAwECBkAoAAAA AwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMECAAoAAAAAwIGAGAAAAACAgYA YAAAAAICCABgAAAAAQEGQGgAAAADAwEGQGgAAAADAwEHICoAAAABAwQIICoA AAD/AwEIACgAAAADAgsAASABAmgMAgNoDAMEaAwEBSAFBgAGBwAHCAAECWgM CQpoDAILIAsMIAsNKAIKAWgMQgEAAAAGAQoJBAMCFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:59Z</structure-indexed-at> </compound>