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CHEBI:87310 - 4-chlorobutanol

ChEBI IDCHEBI:87310
ChEBI Name4-chlorobutanol
Stars
DefinitionA primary alcohol that is butan-1-ol substituted by a chloro group at position 4.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC4H9ClO
Net Charge0
Average Mass108.568
Monoisotopic Mass108.03419
SMILESOCCCCCl
InChIInChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2
InChIKeyHXHGULXINZUGJX-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-chlorobutanol (CHEBI:87310) has functional parent butan-1-ol (CHEBI:28885)
4-chlorobutanol (CHEBI:87310) has role metabolite (CHEBI:25212)
4-chlorobutanol (CHEBI:87310) is a organochlorine compound (CHEBI:36683)
4-chlorobutanol (CHEBI:87310) is a primary alcohol (CHEBI:15734)
IUPAC Name 
4-chlorobutan-1-ol
Synonyms  Source
hydroxypropyl methyl chlorideChEBI
tetramethylene chlorohydrinChEBI
4-hydroxybutyl chlorideChEBI
Registry NumbersSources
Reaxys:1731408Reaxys
CAS:928-51-8ChemIDplus
CAS:928-51-8NIST Chemistry WebBook
Citations