5219 <common-name>1,4-Phenylene diisocyanate</common-name> <description nil="true"/> <cas>104-49-4</cas> <pubchem-id>61009</pubchem-id> <chemical-formula>C8H4N2O2</chemical-formula> <weight>160.13</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">2016-05-19T01:35:06Z</created-at> <updated-at type="dateTime">2026-04-16T21:03:46Z</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>O=C=NC1=CC=C(C=C1)N=C=O</moldb-smiles> <moldb-formula>C8H4N2O2</moldb-formula> <moldb-inchi>InChI=1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H</moldb-inchi> <moldb-inchikey>ALQLPWJFHRMHIU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">160.132</moldb-average-mass> <moldb-mono-mass type="decimal">160.027277377</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>54970</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>CHEM004114</chemdb-id> <dsstox-id>DTXSID3025883</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00020462</susdat-id> <iupac>1,4-diisocyanatobenzene</iupac> </compound>