<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">67628</id>
  <title nil="true"/>
  <common-name>Butane, 2,2-dichloro-</common-name>
  <description nil="true"/>
  <cas>4279-22-5</cas>
  <pubchem-id>521118</pubchem-id>
  <chemical-formula>C4H8Cl2</chemical-formula>
  <weight>127.01</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">2026-04-03T10:14:45Z</created-at>
  <updated-at type="dateTime">2026-08-22T18:41:36Z</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>CCC(C)(Cl)Cl</moldb-smiles>
  <moldb-formula>C4H8Cl2</moldb-formula>
  <moldb-inchi>InChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3</moldb-inchi>
  <moldb-inchikey>BSRTYNDWQXVCKR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">127.01</moldb-average-mass>
  <moldb-mono-mass type="decimal">126.000306</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>454552</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>CHEM063521</chemdb-id>
  <dsstox-id>DTXSID2063391</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00022184</susdat-id>
  <iupac>2,2-dichlorobutane</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>Organochlorides</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0092021</sync-id>
  <structure-inchikey>BSRTYNDWQXVCKR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000002000000000000000000000000000000000000008000003000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000000000000000008000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>10000000000000000000000000000000004000000200040000000000000000000800000000000000000000000200000004400000000440000800000801104000000000010000000804200000000000040000002200000000000000004220000004000200040000040100000200080100000200411000000041000020040000804000000000002000800000010040012440010000000080000000000800100000000c000080008000020021002c0000000000800100000000000000000000000040000020000000000000080000000000008400000000000080000000000080000000000000000000000000000000000004000000000000010000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`������� ������ ��������������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:17:47Z</structure-indexed-at>
</compound>
