Consensus flow list

Identity

Type
NeutralMolecule
CAS
119446-68-3
EC
601-613-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Difenoconazole

What it is used for

4

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
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

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BQYJATMQXGBDHF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3
IUPAC name chemrof:IUPAC_name 1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole
Molecular formula chemrof:molecular_formula C19H17Cl2N3O3
Molecular mass chemrof:molecular_mass 406.269
Monoisotopic mass chemrof:monoisotopic_mass 405.064697, 405.0647
SMILES string chemrof:smiles_string CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1

Known URLs

18

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=119446-68-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81760 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.106.375 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4032372 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL466426 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G57043GW enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251255 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J578.459J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18459 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18459 enrich_references.pubchem_identifier_url
pesticides pesticides:difenoconazole enrich_references.chebi_xrefs
ppdb ppdb:230 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86173 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24405376 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25172726 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25306325 enrich_references.chebi_xrefs
reaxys reaxys:9073356 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q3027717 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
64b1ce57-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-8eef-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
36e231eb-c919-4c12-8754-be7f9e6b4ed1 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-8eee-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-90cc-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-8eed-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9134-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9e43-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1c6cba1ea574c20d43de65e3f10b36d546822b82 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9135-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9e41-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8ef0-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9e40-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
8c51914a55494d9bbd6bb9a661ba93f90e715669 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9e42-0050c2490048 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
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