EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28200 - 2-chloroethanol

ChEBI IDCHEBI:28200
ChEBI Name2-chloroethanol
Stars
DefinitionA chloroethanol carrying a chloro substituent at position 2.
Secondary ChEBI IDsCHEBI:1044, CHEBI:19507
Last Modified6 May 2015
DownloadsMolfile
FormulaC2H5ClO
Net Charge0
Average Mass80.514
Monoisotopic Mass80.00289
SMILESOCCCl
InChIInChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
InChIKeySZIFAVKTNFCBPC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
2-chloroethanol (CHEBI:28200) has role xenobiotic metabolite (CHEBI:76206)
2-chloroethanol (CHEBI:28200) is a chloroethanol (CHEBI:23141)
IUPAC Name 
2-chloroethanol
Synonyms  Source
2-ChloroethanolKEGG COMPOUND
Ethylene chlorohydrinKEGG COMPOUND
Glycol chlorohydrinKEGG COMPOUND
β-chloroethanolNIST Chemistry WebBook
β-chloroethyl alcoholNIST Chemistry WebBook
2-chloroethyl alcoholNIST Chemistry WebBook
UniProt Name  Source
2-chloroethanolUniProt
Manual XrefsDatabases
C06753KEGG COMPOUND
c0005UM-BBD
2-ChloroethanolWikipedia
Registry NumbersSources
Gmelin:25389Gmelin
Reaxys:878139Reaxys
CAS:107-07-3KEGG COMPOUND
CAS:107-07-3ChemIDplus
CAS:107-07-3NIST Chemistry WebBook
Citations