<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1788</id>
  <title>T3D1784</title>
  <common-name>Bromoethane</common-name>
  <description>Bromoethane is an alkylating agent used primarily as a chemical intermediate in various organic syntheses. It is an organobromide (L1986).</description>
  <cas>74-96-4</cas>
  <pubchem-id>6332</pubchem-id>
  <chemical-formula>C2H5Br</chemical-formula>
  <weight>107.957460</weight>
  <appearance>Colorless liquid.</appearance>
  <melting-point>-118.6°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>9 mg/mL at 25°C [HORVATH,AL et al. (1999)]</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>Organobromide compounds, especially alkylbromides are strong alkylating agents.  Consequently they can randomly modify the surfaces of proteins and lipids, leading to the disruption of enzyme, transporter or membrane functions.  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. Alkylation of DNA by alkylbromides may also lead to mutations.</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity>LD50: 1350 mg/kg (Oral, Rat) (T14)
LD50: 1750 mg/kg (Intraperitoneal, Rat) (T21)
LC50: 27 000 ppm over 1 hours (Inhalation, Rat) (T21)</toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>3, not classifiable as to its carcinogenicity to humans. (L135)</carcinogenicity>
  <use-source>Bromoethane is an industrial chemical.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Bromoethane is a weak carcinogen and a strong lachrymator.  Studies in rodents indicated that chronic exposure to moderately high levels of bromoethane can lead to marginal increases in lung, adrenal and brain neoplasms (A3149)
</health-effects>
  <symptoms>Inhalation can cause drowsiness and excessive amounts can lead to unconsciousness.  Exposure to eyes can lead to redness and pain.</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">2009-06-22T16:08:36Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:24:38Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C19354</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id>CPD-8985</biocyc-id>
  <ctd-id>C037311</ctd-id>
  <stitch-id>Bromoethane</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id>200</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCBr</moldb-smiles>
  <moldb-formula>C2H5Br</moldb-formula>
  <moldb-inchi>InChI=1S/C2H5Br/c1-2-3/h2H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=RDHPKYGYEGBMSE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">108.965</moldb-average-mass>
  <moldb-mono-mass type="decimal">107.957462807</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL156378</chembl-id>
  <chemspider-id>6092</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"/>
</compound>
