Consensus flow list

Identity

Type
NeutralMolecule
CAS
1689-83-4
EC
216-881-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Ioxynil

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
herbicide CHEBI:24527 A substance used to destroy plant 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

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NRXQIUSYPAHGNM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
IUPAC name chemrof:IUPAC_name 4-hydroxy-3,5-diiodobenzonitrile
Molecular formula chemrof:molecular_formula C7H3I2NO
Molecular mass chemrof:molecular_mass 370.915
Monoisotopic mass chemrof:monoisotopic_mass 370.83041
SMILES string chemrof:smiles_string N#Cc1cc(I)c(O)c(I)c1

Known URLs

20

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=1689-83-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81821 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.347 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0900 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8022161 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL509523 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8Y734M4V9E enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253557 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.375H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18546 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18546 enrich_references.pubchem_identifier_url
pesticides pesticides:ioxynil enrich_references.chebi_xrefs
ppdb ppdb:402 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15530 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2588 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22893975 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24449421 enrich_references.chebi_xrefs
reaxys reaxys:2364041 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q186546 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ioxynil enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
1f30d643-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-957c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
90230e66-1cee-463b-8a17-47dffb7401e3 Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-957b-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-957d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-957a-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-958e-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9581-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d478c24ff4170b326fde4755a127f92ea5259008 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-958f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-957f-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9582-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-957e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9580-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3ea18844dd15dae7",
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