<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">164</id>
  <title>T3D0163</title>
  <common-name>1,1,2-Trichloroethane</common-name>
  <description>1,1,2-Trichloroethane is a colorless, sweet-smelling liquid that does not burn easily and boils at a higher temperature than water. It is used mostly where 1,1-dichloroethene (vinylidene chloride) is made. 1,1,2-Trichloroethane is used as a solvent. When it is released into the environment, most 1,1,2-trichloroethane finally ends up in the air, but some may enter groundwater. Breakdown in both the air and groundwater is slow. (L422)</description>
  <cas>79-00-5</cas>
  <pubchem-id>6574</pubchem-id>
  <chemical-formula>C2H3Cl3</chemical-formula>
  <weight>131.930030</weight>
  <appearance>Colorless liquid.</appearance>
  <melting-point>-36.6°C</melting-point>
  <boiling-point>110 - 115 °C</boiling-point>
  <density>1.435 g/cm³</density>
  <solubility>4.59 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>Inhalation (L423) ; oral (L423) ; dermal (L423)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Acyl chlorides and free radicals formed during the metabolism of 1,1,2-trichloroethane are reactive metabolites that can bind to proteins and nucleic acids (DNA, RNA), and are suspected of being cytotoxic, mutagenic, and carginogenic. (L422, A192)</mechanism-of-toxicity>
  <metabolism>After 1,1,2-trichloroethane enters the body, it is carried by the blood to organs and tissues such as the liver, kidney, brain, heart, spleen, and fat. The primary metabolites identified are chloroacetic acid, S-carboxymethylcysteine, and thiodiacetic acid. S-carboxymethycysteine and thiodiacetic acid are formed from 1,1,2-trichloroethane following conjugation with glutathione. Chloroacetic acid is formed by hepatic cytochrome P-450. This reaction is thought to proceed via the acyl chloride. Cytochrome P-450 can also produce free radicals from 1,1,2-trichloroethane. Experiments show that most 1,1,2-trichloroethane leaves the body unchanged in the breath and as other substances that it is changed into in the urine in about 1 day. (L422)</metabolism>
  <toxicity>LD50: 837 mg/kg (Oral, Rat) (L424) 
LD50: 5.38 g/kg (Dermal, Rabbit) (L424)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>3, not classifiable as to its carcinogenicity to humans. (L135)</carcinogenicity>
  <use-source>1,1,2-Trichloroethane is used as a solvent. Exposure to 1,1,2-trichloroethane would most likely be from breathing vapors of the chemical or from skin contact. Drinking contaminated water is also a route of exposure. (L422)</use-source>
  <min-risk-level>Acute Oral: 0.3 mg/kg/day (Mouse) (L422)
Intermediate Oral: 0.04 mg/kg/day (Mouse) 9L422)</min-risk-level>
  <health-effects>Inhalation of high levels of 1,1,2-trichloroethanein can affect the nervous system and cause sleepiness. 1,1,2-Trichloroethane may also affect the liver, kidney, and digestive tract, produce skin irritation, and affect the body's ability to fight infections. (L422)</health-effects>
  <symptoms>Inhalation or ingestion of 1,1,2-trichloroethane can cause dizziness, drowsiness, headache, nausea, shortness of breath, and unconsciousness. The compound can be absorbed following dermal contact. Skin exposure can also lead to temporary stinging and burning pain. Other symptoms of exposure to this compound may include irritation of the skin, eyes, nose, mucous membranes, and upper respiratory tract. (L423, T29)</symptoms>
  <treatment>Following ingestion, administer charcoal as a slurry (240 mL water/30 g charcoal). Usual dose: 25 to 100 g in adults/adolescents, 25 to 50 g in children (1 to 12 years), and 1 g/kg in infants less than 1 year old. Consider gastric lavage after ingestion of a potentially life-threatening amount of poison if it can be performed soon after ingestion. In case of seizures, administer a benzodiazepine IV. Following inhalation exposure, move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. In case of dermal exposure, remove contaminated clothing and wash exposed area thoroughly with soap and water. (T36)</treatment>
  <created-at type="dateTime">2009-03-06T18:58:12Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:21:15Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/1,1,2-Trichloroethane</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C19536</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>36018</chebi-id>
  <biocyc-id>CPD-8985</biocyc-id>
  <ctd-id>C024567</ctd-id>
  <stitch-id>1,1,2-Trichloroethane</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>1412</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>ClCC(Cl)Cl</moldb-smiles>
  <moldb-formula>C2H3Cl3</moldb-formula>
  <moldb-inchi>InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2</moldb-inchi>
  <moldb-inchikey>InChIKey=UBOXGVDOUJQMTN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">133.404</moldb-average-mass>
  <moldb-mono-mass type="decimal">131.930033217</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL43882</chembl-id>
  <chemspider-id>6326</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>
