89789 <common-name>2-Chloroethyltriphenylphosphonium bromide</common-name> <description>2-Chloroethyltriphenylphosphonium bromide belongs to the phenylphosphines and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C20H19ClP and an average molecular weight of 405.70 g/mol.</description> <cas>31238-20-7</cas> <pubchem-id>3084530</pubchem-id> <chemical-formula>C20H19ClP</chemical-formula> <weight nil="true"/> <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">2026-04-04T23:56:18Z</created-at> <updated-at type="dateTime">2026-04-04T23:56:18Z</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>[Br-].ClCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C20H19ClP</moldb-formula> <moldb-inchi>InChI=1/C20H19ClP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1</moldb-inchi> <moldb-inchikey>HETXOZDAMZALJQ-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">405.7</moldb-average-mass> <moldb-mono-mass type="decimal">325.0912899</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>CHEM085682</chemdb-id> <dsstox-id>DTXSID40953304</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050744</susdat-id> <iupac nil="true"/> <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>Phenylphosphines and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0160976</sync-id> <structure-inchikey>HETXOZDAMZALJQ-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000020000000000000000000000000000000000000000000000000000001000000000080000000000000000000000000000000000000000000000000000000000000000000000040080800004000000080000000000000100000000000000000000000000000000000000000000080000000000000000008000000000000000000000000000000000000000000000000000000010000000000000000200000000000000000000020000000044000000000000000200000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�# ����ÿ�� ������`�������`������ "������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@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">2026-09-19T04:32:52Z</structure-indexed-at> </compound>