CHEBI:47248 - 4-bromophenol

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ChEBI Name 4-bromophenol
ChEBI ID CHEBI:47248
Definition A bromophenol containing only hydroxy and bromo substituents that are para to one another.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34389
Supplier Information ChemicalBook:CB7181317, eMolecules:485990, ZINC000000404316
Download Molfile XML SDF
Formula C6H5BrO
Net Charge 0
Average Mass 173.007
Monoisotopic Mass 171.95238
InChI InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey GZFGOTFRPZRKDS-UHFFFAOYSA-N
SMILES C=1C=C(C=CC1O)Br
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Rattus norvegicus (NCBI:txid10116) See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Neosiphonia sp.aerocarpa (WORMS:146348) See: PubMed
Roles Classification
Chemical Role(s): persistent organic pollutant
Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-bromophenol (CHEBI:47248) has role human urinary metabolite (CHEBI:84087)
4-bromophenol (CHEBI:47248) has role human xenobiotic metabolite (CHEBI:76967)
4-bromophenol (CHEBI:47248) has role marine metabolite (CHEBI:76507)
4-bromophenol (CHEBI:47248) has role mouse metabolite (CHEBI:75771)
4-bromophenol (CHEBI:47248) has role persistent organic pollutant (CHEBI:77853)
4-bromophenol (CHEBI:47248) has role rat metabolite (CHEBI:86264)
4-bromophenol (CHEBI:47248) is a bromophenol (CHEBI:33624)
Synonyms Sources
p-Bromohydroxybenzene ChemIDplus
p-Bromophenol ChemIDplus
Manual Xrefs Databases
BML PDBeChem
C00036569 KNApSAcK
C14453 KEGG COMPOUND
CPD-18749 MetaCyc
View more database links
Registry Numbers Types Sources
106-41-2 CAS Registry Number KEGG COMPOUND
106-41-2 CAS Registry Number ChemIDplus
106-41-2 CAS Registry Number NIST Chemistry WebBook
1680024 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
22 February 2018
General Comment
2016-11-28 See also http://dx.doi.org/10.1016/j.tet.2012.08.081