Consensus flow list

1,2,3,6,7,8-hexachlorodibenzo-p-dioxin

fo-23b855d6eddfb810

Identity

Type
NeutralMolecule
CAS
57653-85-7
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1,2,3,6,7,8-hexachlorodibenzo-p-dioxin

What it is used for

2

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
persistent organic pollutant CHEBI:77853 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. ChEBI

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YCLUIPQDHHPDJJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H
IUPAC name chemrof:IUPAC_name 1,2,3,6,7,8-hexachlorodibenzo-p-dioxin
Molecular formula chemrof:molecular_formula C12H2Cl6O2
Molecular mass chemrof:molecular_mass 390.864
Monoisotopic mass chemrof:monoisotopic_mass 387.818595, 387.8186
SMILES string chemrof:smiles_string Clc1cc2c(c(Cl)c1Cl)Oc1cc(Cl)c(Cl)c(Cl)c1O2

Known URLs

12

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=57653-85-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81503 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.223.029 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0023824 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B94L7A4G3D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244134 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.852J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18101 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18101 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/42540 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2811 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26841237 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ff5f014d-eee7-40cd-879a-15c1b425cb4b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b05567ff-ac7f-4bcc-9790-37b5c2532794 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9ca90270-ea96-4fe1-b1c4-866f1f0fe24a Environmental → Air → Indoor EF 3.1 kg 2
12fa3910-3941-40ed-9d19-b86bfd2d92c0 Environmental → Air → Long-term EF 3.1 kg 0
146a2005-7de4-4fa7-9848-7c9f9d0da2d9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ba96ca66-9b78-40cf-a3e1-1039ebfa83e1 Environmental → Air → Unknown EF 3.1 kg 2
2b08ca86-10ef-4f3a-aff2-7179d02f483c Environmental → Ground → Agricultural EF 3.1 kg 2
36637b3e-3131-460d-9ae6-dc2673bed9c1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a51f852d-4417-4055-af65-d1d330b2d484 Environmental → Ground → Unknown EF 3.1 kg 2
1e868b11-3d25-4ffc-aa84-37ce945efb34 Environmental → Water → Long-term EF 3.1 kg 0
f43d9114-9ff5-4086-8d0d-df64b78d0af8 Environmental → Water → Ocean EF 3.1 kg 2
4f2c2a1f-5260-4c0c-8f3b-4bc9702adf50 Environmental → Water → Surface water EF 3.1 kg 2
cd7e4e40-04aa-43e8-b502-a441d4295f4c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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}

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