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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:
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.
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
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