CHEBI:87310 - 4-chlorobutanol

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ChEBI Name 4-chlorobutanol
ChEBI ID CHEBI:87310
Definition A primary alcohol that is butan-1-ol substituted by a chloro group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C4H9ClO
Net Charge 0
Average Mass 108.56700
Monoisotopic Mass 108.03419
InChI InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey HXHGULXINZUGJX-UHFFFAOYSA-N
SMILES OCCCCCl
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-hydroxybutyl chloride ChEBI
hydroxypropyl methyl chloride ChEBI
tetramethylene chlorohydrin ChEBI
Registry Numbers Types Sources
1731408 Reaxys Registry Number Reaxys
928-51-8 CAS Registry Number ChemIDplus
928-51-8 CAS Registry Number NIST Chemistry WebBook
Citation Waiting for Citations Type Source
15178004 PubMed citation Europe PMC
Last Modified
02 September 2015