76643 <common-name>Benzene, 2-iodo-1,3-dimethyl-</common-name> <description nil="true"/> <cas>608-28-6</cas> <pubchem-id>69097</pubchem-id> <chemical-formula>C8H9I1</chemical-formula> <weight>232.06</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">2026-04-04T06:56:22Z</created-at> <updated-at type="dateTime">2026-08-25T05:24:49Z</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=CC=CC(C)=C1I</moldb-smiles> <moldb-formula>C8H9I1</moldb-formula> <moldb-inchi>InChI=1S/C8H9I/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3</moldb-inchi> <moldb-inchikey>QTUGGVBKWIYQSS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">232.064</moldb-average-mass> <moldb-mono-mass type="decimal">231.974898</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>62314</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>CHEM072536</chemdb-id> <dsstox-id>DTXSID5060560</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00034464</susdat-id> <iupac>2-iodo-1,3-dimethylbenzene</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>Xylenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0118149</sync-id> <structure-inchikey>QTUGGVBKWIYQSS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000100000000000000000000001000040000000800000000000000000000000000000000000000000000000000000000000000000000000080100000000000000080000000000000000000000000000000000000000000000000000000000000000002000000200000000000000000000000000000040000000000000000000000000000001040000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@h�������@h�������@h�������@(�������`������@(�����5� ����������h���h���h���h������h������h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:34Z</structure-indexed-at> </compound>