CHEBI:47696 - 2,4,6-tribromophenol

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ChEBI Name 2,4,6-tribromophenol
ChEBI ID CHEBI:47696
Definition A bromophenol that is phenol in which the hydrogens at positions 2, 4 and 6 have been replaced by bromines. It is commonly used as a fungicide and in the preparation of flame retardants.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34234
Supplier Information
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Formula C6H3Br3O
Net Charge 0
Average Mass 330.798
Monoisotopic Mass 327.773
InChI InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey BSWWXRFVMJHFBN-UHFFFAOYSA-N
SMILES C=1(C(=C(C=C(C1)Br)Br)O)Br
Metabolite of Species Details
Grateloupia elliptica (NCBI:txid118371) See: PubMed
Neosiphonia sp.aerocarpa (WORMS:146348) See: PubMed
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): fungicide
A substance used to destroy fungal pests.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Application(s): fungicide
A substance used to destroy fungal pests.
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ChEBI Ontology
Outgoing 2,4,6-tribromophenol (CHEBI:47696) has role environmental contaminant (CHEBI:78298)
2,4,6-tribromophenol (CHEBI:47696) has role fungicide (CHEBI:24127)
2,4,6-tribromophenol (CHEBI:47696) has role marine metabolite (CHEBI:76507)
2,4,6-tribromophenol (CHEBI:47696) is a bromophenol (CHEBI:33624)
Incoming 2-propyn-1-yl 2,4,6-tribromophenyl phthalate (CHEBI:75345) has functional parent 2,4,6-tribromophenol (CHEBI:47696)
Synonyms Sources
2,4,6-TBP ChEBI
Bromol ChemIDplus
Tribromophenol ChemIDplus
Xeroform ChemIDplus
Manual Xrefs Databases
2,4,6-tribromophenol Wikipedia
C14454 KEGG COMPOUND
DB02417 DrugBank
HMDB0029642 HMDB
TBP PDBeChem
View more database links
Registry Numbers Types Sources
118-79-6 CAS Registry Number KEGG COMPOUND
118-79-6 CAS Registry Number ChemIDplus
118-79-6 CAS Registry Number NIST Chemistry WebBook
776920 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16134480 PubMed citation Europe PMC
18460800 PubMed citation Europe PMC
19701836 PubMed citation Europe PMC
19931292 PubMed citation Europe PMC
24263137 PubMed citation Europe PMC
Last Modified
22 February 2018