5385 <common-name>3,3'-Dichlorobenzidine dihydrochloride</common-name> <description>3,3'-Dichlorobenzidine dihydrochloride belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. The compound has the chemical formula C12H12Cl4N2 and an average molecular weight of 326.04 g/mol.</description> <cas>612-83-9</cas> <pubchem-id>11933</pubchem-id> <chemical-formula>C12H12Cl4N2</chemical-formula> <weight>326.0</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">2016-05-19T01:39:49Z</created-at> <updated-at type="dateTime">2026-04-17T17:57:20Z</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>Cl.Cl.NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(N)C=C1</moldb-smiles> <moldb-formula>C12H12Cl4N2</moldb-formula> <moldb-inchi>InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H</moldb-inchi> <moldb-inchikey>BXAONUZFBUNTQR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">326.04</moldb-average-mass> <moldb-mono-mass type="decimal">323.9754592</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM004280</chemdb-id> <dsstox-id>DTXSID1020433</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00078378</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.04</moldb-polar-surface-area> <moldb-refractivity>70.20460000000001</moldb-refractivity> <moldb-polarizability>25.472546119069563</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>2.9502805695169907</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.60</moldb-alogps-logp> <moldb-alogps-logs>-4.26</moldb-alogps-logs> <moldb-alogps-solubility>1.40e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer">57</paper-count> <sync-id>CED0022476</sync-id> <structure-inchikey>BXAONUZFBUNTQR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000004000000000000000000000100000800200000000000000000000000000000000000000000000000000000000000040801000000000000000000000000020000000000000000000000000080000000000000000004000000000000000000020000000000000000000000000000000000010000000000000000200000000000000000000000004000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���@������@������h�������@(������@(������� �����@h�������@(������@h�������@h�������@(������@h�������@(������� �����@(�������h�������@h�������@h��������� ��h������h���h���h�� h�� �h���h�� ���h��� ��h���h� �h�� h�B������ ���������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:01:53Z</structure-indexed-at> </compound>