CHEBI:47696 - 2,4,6-tribromophenol

ChEBI IDCHEBI:47696
ChEBI Name2,4,6-tribromophenol
Stars
DefinitionA bromophenol that is phenol in which the hydrogens at positions 2, 4 and 6 have been replaced by bromines.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.
Secondary ChEBI IDCHEBI:34234
Last Modified22 February 2018
DownloadsMolfile
FormulaC6H3Br3O
Net Charge0
Average Mass330.801
Monoisotopic Mass327.77340
SMILESOc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKeyBSWWXRFVMJHFBN-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Neosiphonia sphaerocarpa (WORMS:146348) - PubMed (10656411)
Grateloupia elliptica (ncbitaxon:118371) - PubMed (18951591)
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
fungicide  A substance used to destroy fungal pests.
Application:
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
2-propyn-1-yl 2,4,6-tribromophenyl phthalate (CHEBI:75345) has functional parent 2,4,6-tribromophenol (CHEBI:47696)
Synonyms  Source
TribromophenolChemIDplus
BromolChemIDplus
XeroformChemIDplus
2,4,6-TBPChEBI
Manual XrefsDatabases
C14454KEGG COMPOUND
TBPPDBeChem
DB02417DrugBank
HMDB0029642HMDB
2,4,6-tribromophenolWikipedia
Registry NumbersSources
Reaxys:776920Reaxys
CAS:118-79-6KEGG COMPOUND
CAS:118-79-6ChemIDplus
CAS:118-79-6NIST Chemistry WebBook
Citations