71929 <common-name>Benzene, 1,4-bis(1-isocyanato-1-methylethyl)-</common-name> <description>Benzene, 1,4-bis(1-isocyanato-1-methylethyl)- is an organic compound with the chemical formula $\text{C}_{14}\text{H}_{16}\text{N}_2\text{O}_2$ and an average molecular weight of 244.29 g/mol. Benzene, 1,4-bis(1-isocyanato-1-methylethyl)- belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified as a member of the benzenoids superclass. This compound is associated with three recorded sources of release or presence. These include materials used in building and construction, specifically floors and roofs. Additionally, it is found in electrical and electronic equipment, specifically gas filled discharge tubes with solid cathode.</description> <cas>2778-41-8</cas> <pubchem-id>17718</pubchem-id> <chemical-formula>C14H16N2O2</chemical-formula> <weight>244.29</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">2026-04-03T20:08:35Z</created-at> <updated-at type="dateTime">2026-08-19T05:58:13Z</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>CC(C)(N=C=O)C1=CC=C(C=C1)C(C)(C)N=C=O</moldb-smiles> <moldb-formula>C14H16N2O2</moldb-formula> <moldb-inchi>InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-5-7-12(8-6-11)14(3,4)16-10-18/h5-8H,1-4H3</moldb-inchi> <moldb-inchikey>AGJCSCSSMFRMFQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">244.294</moldb-average-mass> <moldb-mono-mass type="decimal">244.121178</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16746</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>CHEM067822</chemdb-id> <dsstox-id>DTXSID2073304</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00028367</susdat-id> <iupac>1,4-bis(2-isocyanatopropan-2-yl)benzene</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>Phenylpropanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0189110</sync-id> <structure-inchikey>AGJCSCSSMFRMFQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000040000000000000000000000000000000000000000800000000000000000000000000010000000000000000000000000000000000020000020000000000004000000000000000000000000002000000000000000000000000000000000000000000000800000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000044000000000000000000000000000000000000800000000000000000000000400000000000020000000200000000000000200000000000000040000000000000000000000000000000000000000000</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�B������� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:01Z</structure-indexed-at> </compound>