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CHEBI:27789 - 1,2-dichloroethane

ChEBI IDCHEBI:27789
ChEBI Name1,2-dichloroethane
Stars
DefinitionA member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.
Secondary ChEBI IDsCHEBI:497, CHEBI:18881, CHEBI:49557
Last Modified17 June 2021
DownloadsMolfile
FormulaC2H4Cl2
Net Charge0
Average Mass98.960
Monoisotopic Mass97.96901
SMILESClCCCl
InChIInChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
InChIKeyWSLDOOZREJYCGB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Biological Roles:
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
Application:
ChEBI Ontology
Outgoing Relation(s)
1,2-dichloroethane (CHEBI:27789) has role hepatotoxic agent (CHEBI:50908)
1,2-dichloroethane (CHEBI:27789) has role mutagen (CHEBI:25435)
1,2-dichloroethane (CHEBI:27789) has role non-polar solvent (CHEBI:48355)
1,2-dichloroethane (CHEBI:27789) is a chloroethanes (CHEBI:36016)
IUPAC Name 
1,2-dichloroethane
Synonyms  Source
1,2-DichloroethaneKEGG COMPOUND
Ethylene dichlorideKEGG COMPOUND
Glycol dichlorideKEGG COMPOUND
Dutch liquidKEGG COMPOUND
1,2-DICHLOROETHANEPDBeChem
1,2-DichloräthanChEBI
UniProt Name  Source
1,2-dichloroethaneUniProt
Manual XrefsDatabases
C06752KEGG COMPOUND
c0001UM-BBD
DCEPDBeChem
DB03733DrugBank
12-DICHLOROETHANEMetaCyc
1,2-DichloroethaneWikipedia
HMDB0029571HMDB
2774PPDB
Registry NumbersSources
Gmelin:49272Gmelin
Reaxys:605264Reaxys
CAS:107-06-2KEGG COMPOUND
CAS:107-06-2ChemIDplus
CAS:107-06-2NIST Chemistry WebBook
Citations