Consensus flow list

Identity

Type
NeutralMolecule
CAS
83164-33-4
EC
617-446-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Diflufenican

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

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WYEHFWKAOXOVJD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
IUPAC name chemrof:IUPAC_name 2',4'-Difluoro-2-(alpha,alpha,alpha-trifluoro-m-tolyloxy)nicotinanilide
Molecular formula chemrof:molecular_formula C19H11F5N2O2
Molecular mass chemrof:molecular_mass 394.299
Monoisotopic mass chemrof:monoisotopic_mass 394.074069, 394.07407
SMILES string chemrof:smiles_string O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1

Known URLs

21

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=83164-33-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81824 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.360 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.314.998 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4041494 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1425995 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3T8D1VDO6K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251262 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J246.562K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18549 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18549 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=87125 enrich_references.pubchem_identifier_url
pesticides pesticides:diflufenican enrich_references.chebi_xrefs
ppdb ppdb:235 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91735 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22961490 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23887887 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25096492 enrich_references.chebi_xrefs
reaxys reaxys:4212494 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q424793 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diflufenican enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
64b1a724-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9033-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
33ebe2c8-0162-4a46-8508-7773faef8ee0 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9032-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9034-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9031-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-902f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9038-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
89b61005b8e7feff1e18850ad2c7d6c39a806f42 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9030-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9036-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9039-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9035-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9037-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-613f99519599bd18",
  "prefLabel": [
    {
      "@value": "Diflufenican",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Pyridinecarboxamide, N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-",
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    {
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    {
      "@value": "Brodal",
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    },
    {
      "@value": "Diflufenicanil",
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  "references": [
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