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CHEBI:143852 - 1-chlorobutan-2-ol

ChEBI IDCHEBI:143852
ChEBI Name1-chlorobutan-2-ol
Stars
DefinitionA secondary alcohol that is butan-2-ol in which one of the methyl hydrogen atoms is substituted by chlorine.
Last Modified4 June 2019
Submittermwilliams
DownloadsMolfile
FormulaC4H9ClO
Net Charge0
Average Mass108.568
Monoisotopic Mass108.03419
SMILESCCC(O)CCl
InChIInChI=1S/C4H9ClO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKeyVNBFUGOVQMFIRN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (30531924)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-chlorobutan-2-ol (CHEBI:143852) has role human metabolite (CHEBI:77746)
1-chlorobutan-2-ol (CHEBI:143852) is a organochlorine compound (CHEBI:36683)
1-chlorobutan-2-ol (CHEBI:143852) is a secondary alcohol (CHEBI:35681)
1-chlorobutan-2-ol (CHEBI:143852) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
1-chlorobutan-2-ol
Synonyms  Source
1-chloro-2-butanolChEBI
α-butylene chlorohydrinChEBI
1-(chloromethyl)-1-propanolChEBI
1-chloro-2-hydroxybutaneChEBI
Registry NumbersSources
CAS:1873-25-2ChEBI
Citations