78426 <common-name>1-Chloro-3-iodopropane</common-name> <description>1-Chloro-3-iodopropane belongs to the organoiodides, a class of organohalogen compounds within the organic compounds. This compound has the chemical formula C3H6Cl1I1 and an average molecular weight of 204.44 g/mol.</description> <cas>6940-76-7</cas> <pubchem-id>81363</pubchem-id> <chemical-formula>C3H6Cl1I1</chemical-formula> <weight>204.44</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">2026-04-04T12:25:51Z</created-at> <updated-at type="dateTime">2026-08-22T13:16:38Z</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>ClCCCI</moldb-smiles> <moldb-formula>C3H6Cl1I1</moldb-formula> <moldb-inchi>InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2</moldb-inchi> <moldb-inchikey>SFOYQZYQTQDRIY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">204.44</moldb-average-mass> <moldb-mono-mass type="decimal">203.920276</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>73411</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>CHEM074319</chemdb-id> <dsstox-id>DTXSID3064512</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036844</susdat-id> <iupac>1-chloro-3-iodopropane</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>Organohalogen compounds</superklass> <klass>Organoiodides</klass> <subklass nil="true"/> <paper-count type="integer">32</paper-count> <sync-id>CED0026388</sync-id> <structure-inchikey>SFOYQZYQTQDRIY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000088000000001000000000000000000000000000000000000000000000010000000000000000000000000200000000000000000000000000000010000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>800000000004000000000040000000000000000000000000000000000000000000000000000400000000400000000000000000000000000010000000004200000000000000000002000000000000000000200000000000000000000000000000000000000000000001000000001000020040000004000000000000000000000010040002020000000000080000000000800100000000800800000000000002000240000000000000000000000000000000000000000000000000000000000000000000000008000800000000000000000000080000000000000000000000000000000000000000000000000010040000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAFAAAABAAAAIABEQAgAAAAAQYAYAAAAAIC BgBgAAAAAgIGAGAAAAACAjUAIAAAAAELAAEAAQIAAgMAAwQAQgAAAAAXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:53Z</structure-indexed-at> </compound>