<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1729</id>
  <title>T3D1725</title>
  <common-name>Bronidox</common-name>
  <description>Bronidox is an organobromide that is a nitrobromo derivative of dioxane. It is used as a stabilizer, surfacant, bactericide, and a preservative in immunology and cosmetics. It is corrosive to metals. Bronidox has been used in cosmetics since the mid-1970s as preservative for shampoos and foam baths.</description>
  <cas>30007-47-7</cas>
  <pubchem-id>1807</pubchem-id>
  <chemical-formula>C4H6BrNO4</chemical-formula>
  <weight>210.948020</weight>
  <appearance>White powder.</appearance>
  <melting-point>60°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L626) ; inhalation (L626) ; dermal (L626)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Bronidox likely acts as an oxidizing agent that leads to oxidation of free sulfhydryls in essential enzymes.  One of the most probable protein targets is the TRPA1 ion channel that is expressed in sensory nerves (trigeminal nerve) of the eyes, nose, mouth and lungs. This compromises their activity and can lead to cell damage, cell death and/or apoptosis.  It may also react with amines and amides to form nitrosamines or nitrosamides.  Nitrosamines can be carcinogenic.</mechanism-of-toxicity>
  <metabolism>Bronidox can be metabolized to 2-bromo-2-nitropropane-1,3-diol, a well known nitrosating agent.(L626)</metabolism>
  <toxicity>LD50: 590 mg/kg (mouse, Oral); 
LD50: 455 mg/kg (rat, Oral) 
LD50: 31 mg/kg (rat, ipr.); 
LD50: 2500 µg (mouse, skin); 
LD50: 2500 µg (rat, skin)</toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity (not listed by IARC). (L135)</carcinogenicity>
  <use-source>Bronidox is used as a stabilizer, surfacant, bactericide, and preservative in immunology and cosmetics. (L644)</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Can cause significant skin and eye irritation at concentrations &gt;0.1%.  A formaldehyde releaser, bromonitrodioxane can cause allergic contact dermatitis in hairdressers and in workers handling cleaners containing bromonitrodioxane. It is neither mutagenic nor teratogenic.</health-effects>
  <symptoms>Acute doses cause skin and eye irritation. May cause respiratory tract and mucous membrane irritation if inhaled. Harmful if ingested. May affect behavior/central nervous system (tremor, convulsions, excitement).</symptoms>
  <treatment>EYES: irrigate opened eyes for several minutes under running water.
      
INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice.
      
SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention.
      
INHALATION: supply fresh air. If required provide artificial respiration.</treatment>
  <created-at type="dateTime">2009-06-22T16:08:30Z</created-at>
  <updated-at type="dateTime">2026-03-27T00:30:37Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id>Bronidox</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[O-][N+](=O)C1(Br)COCOC1</moldb-smiles>
  <moldb-formula>C4H6BrNO4</moldb-formula>
  <moldb-inchi>InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2</moldb-inchi>
  <moldb-inchikey>XVBRCOKDZVQYAY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">211.999</moldb-average-mass>
  <moldb-mono-mass type="decimal">210.948020332</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>1741</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>CHEM001480</chemdb-id>
  <dsstox-id>DTXSID1044560</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-bromo-5-nitro-1,3-dioxane</iupac>
</compound>
