<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3862</id>
  <title>T3D3807</title>
  <common-name>Chloroneb</common-name>
  <description>Chloroneb (C8H8Cl2O2) is an exogenous organic compound with an average molecular weight of 207.05 g/mol. It exists as a solid at room temperature. Chloroneb belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This chlorinated dimethoxybenzene is used as a fungicide, primarily for pre-plant cottonseed treatment and on commercial turf and ornamentals. It is also registered for use on food crops, including soybeans, sugar beets, and beans.

The compound is associated with six recorded protein targets: Cytochrome P450 1A1 (CYP1A1), Cytochrome P450 2B6 (CYP2B6), Tumor necrosis factor receptor superfamily member 5 (CD40), ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38), and two other proteins. Environmental or industrial sources include magnets in electrical and electronic equipment and floors in building and construction.

Regarding toxicity, chloroneb is a dermal sensitizer. It is classified as Toxicity Category III for eye irritation and Toxicity Category IV for oral ingestion, inhalation toxicity, and dermal toxicity, demonstrating low dermal, oral, and inhalation toxicity.</description>
  <cas>2675-77-6</cas>
  <pubchem-id>17581</pubchem-id>
  <chemical-formula>C8H8Cl2O2</chemical-formula>
  <weight>207.05</weight>
  <appearance>White powder.</appearance>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>It is used as a fungicide and is currently registered for use on a wide variety of food crops but is primarily used for pre-plant cottonseed treatment as well as on commercial turf and ornamentals. The markets for chloroneb seed treatment uses include: sugar beets, soybeans, cotton, and beans.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2013-04-25T07:56:50Z</created-at>
  <updated-at type="dateTime">2026-08-25T02:35:13Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11252</kegg-compound-id>
  <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>COC1=CC(Cl)=C(OC)C=C1Cl</moldb-smiles>
  <moldb-formula>C8H8Cl2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3</moldb-inchi>
  <moldb-inchikey>PFIADAMVCJPXSF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">207.054</moldb-average-mass>
  <moldb-mono-mass type="decimal">205.990134914</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>16623</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002768</chemdb-id>
  <dsstox-id>DTXSID2024793</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00001859</susdat-id>
  <iupac>1,4-dichloro-2,5-dimethoxybenzene</iupac>
  <moldb-polar-surface-area>18.46</moldb-polar-surface-area>
  <moldb-refractivity>48.59400000000001</moldb-refractivity>
  <moldb-polarizability>19.096782342684058</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-4.571341230900487</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.31</moldb-alogps-logp>
  <moldb-alogps-logs>-3.55</moldb-alogps-logs>
  <moldb-alogps-solubility>5.78e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Methoxybenzenes</subklass>
  <paper-count type="integer">23</paper-count>
  <sync-id>CED0020378</sync-id>
  <structure-inchikey>PFIADAMVCJPXSF-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:00:56Z</structure-indexed-at>
</compound>
