<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1913</id>
  <title>T3D1909</title>
  <common-name>1,2-Dichloropropene</common-name>
  <description>1,2-Dichloropropene is a form of dichloropropene (L893).</description>
  <cas>563-54-2</cas>
  <pubchem-id>5463459</pubchem-id>
  <chemical-formula>C3H4Cl2</chemical-formula>
  <weight>109.969010</weight>
  <appearance>Liquid (L893).</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>2.7 mg/mL at 25°C [GUNTHER,FA et al. (1968)]</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Inhalation (L893) ; oral (L893) ; dermal (L893) ;  eye contact (L893).</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Metabolism of 1,2-D in the rat results in the formation of a mercapturic acid conjugate excreted largely in the urine. Proposed reactive intermediates include 1,2-epoxypropane; this intermediate is suspected of being responsible for mutagenic effects of 1,2-D. Glutathione pathways are seen as a detoxification mechanisms, &amp; liver &amp; kidney toxicity at high concns may be due to saturation of these pathways (A568).</mechanism-of-toxicity>
  <metabolism>Metabolism of 1,2-D in the rat results in the formation of a mercapturic acid conjugate excreted largely in the urine. Proposed reactive intermediates include 1,2-epoxypropane; this intermediate is suspected of being responsible for mutagenic effects of 1,2-D. Glutathione pathways are seen as a detoxification mechanisms, &amp; liver &amp; kidney toxicity at high concns may be due to saturation of these pathways.</metabolism>
  <toxicity>LD50: 2 g/kg (Oral, Rat) (T14)
LD50: 8750 mg/kg (Oral, Rat) (T14)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity (not listed by IARC). (L135)</carcinogenicity>
  <use-source>Breathing in contaminated air; drinking contaminated water; eating contaminated food; dermal and eye exposure (L893).</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Ingestion of 1,2-D can lead to developed gastrointestinal distress, adult respiratory distress syndrome, hematological and hepatorenal functional impairment,  acute gastrointestinal distress with pulmonary congestion and edema, central nervous depression, perhaps even in the absence of impaired oxygen uptake. Moreover, this can lead to death. Coma may occur rapidly after inhalation. Severe skin irritation with marked inflammatory response of epidermis can underlying tissues can follow dermal exposure. By any route, possible late injuries to liver, kidneys and heart (T48). </health-effects>
  <symptoms>Symptoms occuring after inhalation include gasping, refusal to breathe, coughing, substernal pain; lacrimation and headache are prominant. After inhalation exposures, malaise, headache, chest and abdominal discomfort and irritability can persist during weeks or years. Moreover, Irritation of eyes and upper respiratory mucosa appears promptly after exposure to concentrated vapors.  Ingestion can cause cough, sore throat, headache, dizziness, nausea, vomiting, unconsciousness, and laboured breathing (T48, L893).</symptoms>
  <treatment>Following oral exposure, administer charcoal as a slurry. Monitor liver and kidney function; elevations may not be seen for several days. Following eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility. Following dermal exposure,  remove contaminated clothing and wash exposed area thoroughly with soap and water. Following inhalation, move patient to fresh air, even though initial symptoms and signs are mild; keep the victim quiet, in a semi-reclining position. Minimum physical activity limits the likehood of pulmonary edema. If victim is not breathing, clear the airway of secretions and resuscitate with positive pressure oxygen apparatus. If this is not available, use chest compression to sustain respiration. (T36, A568)</treatment>
  <created-at type="dateTime">2009-06-24T15:20:02Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:24:52Z</updated-at>
  <interacting-proteins>Cytochrome P450  (L893); Glutathione-S-Trasferase(L893); </interacting-proteins>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>1,2-Dichloropropene</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins>Glutathione S-transferase P (P09211) 
Glutathione S-transferase Mu 1 (P09488) 
Glutathione S-transferase A1 (P08263) 
Glutathione S-transferase theta-2 (P30712) 
Glutathione S-transferase Mu 4 (Q03013) 
Glutathione S-transferase theta-1 (P30711) 
Glutathione S-transferase A4 (O15217) 
Glutathione S-transferase A2 (P09210) 
Glutathione S-transferase A3 (Q16772) 
Glutathione S-transferase Mu 3 (P21266) 
Glutathione S-transferase omega-1 (P78417) 
Glutathione S-transferase kappa 1 (Q9Y2Q3) 
Glutathione S-transferase Mu 2 (P28161) 
Glutathione S-transferase omega-2 (Q9H4Y5) 
Glutathione S-transferase A5 (Q7RTV2) 
Glutathione S-transferase Mu 5 (P46439) 
Glutathione S-transferase theta-4 (A8MPT4) 
Maleylacetoacetate isomerase (O43708) 
Microsomal glutathione S-transferase 1 (P10620) 
Microsomal glutathione S-transferase 2 (Q99735) 
Microsomal glutathione S-transferase 3 (O14880) 
(L893)</metabolizing-proteins>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(Cl)=CCl</moldb-smiles>
  <moldb-formula>C3H4Cl2</moldb-formula>
  <moldb-inchi>InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2-</moldb-inchi>
  <moldb-inchikey>InChIKey=PPKPKFIWDXDAGC-IHWYPQMZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">110.97</moldb-average-mass>
  <moldb-mono-mass type="decimal">109.969005542</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL346519</chembl-id>
  <chemspider-id>4576137</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>
