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CHEBI:143852 - 1-chlorobutan-2-ol
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ChEBI Name
1-chlorobutan-2-ol
ChEBI ID
CHEBI:143852
Definition
A secondary alcohol that is butan-2-ol in which one of the methyl hydrogen atoms is substituted by chlorine.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Formula
C4H9ClO
Net Charge
0
Average Mass
108.570
Monoisotopic Mass
108.03419
InChI
InChI=1S/C4H9ClO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3
InChIKey
VNBFUGOVQMFIRN-UHFFFAOYSA-N
SMILES
ClCC(CC)O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
1-(chloromethyl)-1-propanol
ChEBI
1-chloro-2-butanol
ChEBI
1-chloro-2-hydroxybutane
ChEBI
α-butylene chlorohydrin
ChEBI
Registry Number
Type
Source
1873-25-2
CAS Registry Number
ChEBI
Citation
Type
Source
30531924
PubMed citation
Europe PMC
Last Modified
04 June 2019