Consensus flow list

2,4,6-tribromophenol

fo-a5d59216c6dc194a

Identity

Type
NeutralMolecule
CAS
118-79-6
EC
204-278-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 2,4,6-tribromophenol

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BSWWXRFVMJHFBN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
IUPAC name chemrof:IUPAC_name 2,4,6-tribromophenol
Molecular formula chemrof:molecular_formula C6H3Br3O
Molecular mass chemrof:molecular_mass 330.801
Monoisotopic mass chemrof:monoisotopic_mass 327.7734, 327.773401
SMILES string chemrof:smiles_string Oc1c(Br)cc(Br)cc1Br

Known URLs

30

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=118-79-6 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25721-68-0 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:47696 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.890 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1563 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6021959 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02417 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02417 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2136 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL220087 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YS6K3EU393 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029642 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.307D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14454 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14454 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43953 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TBP enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL220087 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1483 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=564308 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16134480 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18460800 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19701836 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19931292 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24263137 enrich_references.chebi_xrefs
reaxys reaxys:776920 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q209180 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4,6-Tribromophenol enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4,6-tribromophenol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e19dd9ae-bcba-42d5-8194-ae1d900c8b75 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
89f0febe-d52b-45de-a261-3d5ea3ea7bda Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
84b3d035-319f-41e1-9502-e13b35d5856c Environmental → Air → Indoor EF 3.1 kg 4
ee56a981-d6db-4e76-ac88-462e8c336edb Environmental → Air → Long-term EF 3.1 kg 0
3b90cded-6731-4f63-a7bb-4ed9677814d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
662b063d-a877-47c2-8a3f-a258845d259c Environmental → Air → Unknown EF 3.1 kg 4
855bf6bc-1611-4327-ac8e-1d38590b0364 Environmental → Ground → Agricultural EF 3.1 kg 4
d28cc97c-b23d-42fe-a377-c643d55bdb83 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4e496110-c4b1-464c-8874-a3c679da4db9 Environmental → Ground → Unknown EF 3.1 kg 4
61945ff1-2921-4d4d-a7d5-4460427c9dd0 Environmental → Water → Long-term EF 3.1 kg 0
7a204ab8-ca75-4d15-b628-8cb71363b08a Environmental → Water → Ocean EF 3.1 kg 4
7111d786-f6bf-45d9-8b08-c40b84d745ab Environmental → Water → Surface water EF 3.1 kg 4
f835869a-dd36-4208-8512-1206e47dd463 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a5d59216c6dc194a",
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