CHEBI:27789 - 1,2-dichloroethane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dichloroethane
ChEBI ID CHEBI:27789
Definition A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49557, CHEBI:497, CHEBI:18881
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C2H4Cl2
Net Charge 0
Average Mass 98.95856
Monoisotopic Mass 97.969
InChI InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
InChIKey WSLDOOZREJYCGB-UHFFFAOYSA-N
SMILES ClCCCl
Roles Classification
Chemical Role(s): non-polar solvent

Biological Role(s): 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(s): non-polar solvent

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,2-DCE NIST Chemistry WebBook
1,2-Dichloräthan ChEBI
1,2-Dichloroethane KEGG COMPOUND
1,2-DICHLOROETHANE PDBeChem
1,2-dichloroethane UniProt
α,β-dichloroethane NIST Chemistry WebBook
Äthylenchlorid ChEBI
Äthylendichlorid ChEBI
DCE ChemIDplus
Dutch liquid KEGG COMPOUND
EDC ChemIDplus
ethane dichloride ChemIDplus
ethylene chloride ChemIDplus
Ethylene dichloride KEGG COMPOUND
Glycol dichloride KEGG COMPOUND
Database Links Databases
1,2-Dichloroethane Wikipedia
12-DICHLOROETHANE MetaCyc
c0001 UM-BBD
C06752 KEGG COMPOUND
DB03733 DrugBank
DCE PDBeChem
HMDB0029571 HMDB
View more database links
Registry Numbers Types Sources
107-06-2 CAS Registry Number KEGG COMPOUND
107-06-2 CAS Registry Number NIST Chemistry WebBook
107-06-2 CAS Registry Number ChemIDplus
49272 Gmelin Registry Number Gmelin
605264 Reaxys Registry Number Reaxys
605264 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
24228488 PubMed citation Europe PMC
24329990 PubMed citation Europe PMC
24441515 PubMed citation Europe PMC
Last Modified
06 May 2015