Consensus flow list

1,2,3,7,8,9-hexachlorodibenzo-p-dioxin

fo-b1b347c4973c14fd

Identity

Type
NeutralMolecule
CAS
19408-74-3
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,2,3,7,8,9-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 LGIRBUBHIWTVCK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H
IUPAC name chemrof:IUPAC_name 1,2,3,7,8,9-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)Oc1c(cc(Cl)c(Cl)c1Cl)O2

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=19408-74-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81504 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.223.028 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6023781 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CV865M3P15 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244138 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.851A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18102 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18102 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/29575 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/Q27155428 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
3e4c8d55-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
08a91e70-3ddc-11dd-9ec9-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-9ec8-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9eca-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-9ec7-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-9ec5-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4a3-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
08a91e70-3ddc-11dd-9ec6-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4a1-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4a4-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4a0-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
fe0acd60-3ddc-11dd-a4a2-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
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