79539 <common-name>5-Iodo-o-toluidine</common-name> <description>5-Iodo-o-toluidine belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C7H8I1N1. The compound has an average molecular weight of 233.05 g/mol.</description> <cas>83863-33-6</cas> <pubchem-id>522802</pubchem-id> <chemical-formula>C7H8I1N1</chemical-formula> <weight>233.05</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">2026-04-04T14:24:55Z</created-at> <updated-at type="dateTime">2026-08-24T08:30:16Z</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>CC1=C(N)C=C(I)C=C1</moldb-smiles> <moldb-formula>C7H8I1N1</moldb-formula> <moldb-inchi>InChI=1S/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3</moldb-inchi> <moldb-inchikey>IOEHXNCBPIBDBZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">233.052</moldb-average-mass> <moldb-mono-mass type="decimal">232.970147</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>456040</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>CHEM075432</chemdb-id> <dsstox-id>DTXSID50232753</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038335</susdat-id> <iupac>5-iodo-2-methylaniline</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>Toluenes</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0054484</sync-id> <structure-inchikey>IOEHXNCBPIBDBZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000100000000200000000100000000000000000000000000040000000000000000000002000001000000000000000000000000000000000000000000000000000080100000000000000004000000002000000000000000000000000240000000000000000000000100000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@(�������h�������@h�������@(�����5� �����@h�������@h������������h��� ��h���h������h���h���h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:42Z</structure-indexed-at> </compound>