Consensus flow list

Triflumizole

fo-091ecbfc7f85e648

Identity

Type
NeutralMolecule
CAS
68694-11-1
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Triflumizole

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HSMVPDGQOIQYSR-KGENOOAVSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+
Isomeric SMILES string chemrof:isomeric_smiles_string CCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1
IUPAC name chemrof:IUPAC_name (1E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-imidazol-1-yl)-2-propoxyethan-1-imine
Molecular formula chemrof:molecular_formula C15H15ClF3N3O
Molecular mass chemrof:molecular_mass 345.752
Monoisotopic mass chemrof:monoisotopic_mass 345.08557, 345.085574
SMILES string chemrof:smiles_string CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1

Known URLs

26

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
agr agr:IND87016533 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=68694-11-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81784 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.121.572 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.123.922 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1252 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2032500 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20860885 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL463781 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7J6Y4H9MV5 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259199 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.588H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.105B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18493 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18493 enrich_references.pubchem_identifier_url
pesticides pesticides:triflumizole enrich_references.chebi_xrefs
ppdb ppdb:665 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91699 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/17723736 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21589122 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23086663 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23211365 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3624378 enrich_references.chebi_xrefs
reaxys reaxys:6960813 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2519096 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
27a96761-abb7-4e1e-8dda-0ca14029453e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b5ce46f4-5ec8-4914-8ac8-8fb911bdb92d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2861736f-ca0f-4a5e-9aae-5f5b722e2c6a Environmental → Air → Indoor EF 3.1 kg 2
a547d63f-b987-45a4-bf63-dcabf6605ae5 Environmental → Air → Long-term EF 3.1 kg 0
9e75082b-63c6-4c03-9767-5cceb4070d1f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
49ae4156-47f6-461d-87dd-d1f2bd04f304 Environmental → Air → Unknown EF 3.1 kg 2
46c36248-101f-4cc0-8bbc-eaf459d8015d Environmental → Ground → Agricultural EF 3.1 kg 2
b5af9f50-405e-4408-a515-32067ab554bf Environmental → Ground → Non-agricultural EF 3.1 kg 2
7c7e948d01ecfd7ed712117620de9d3d5d1fbb1c Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
e2a9d0c2-6e90-4d55-a111-635ceee37c81 Environmental → Ground → Unknown EF 3.1 kg 2
d358f3af-ca36-4448-aa7a-935df13bf9fb Environmental → Water → Long-term EF 3.1 kg 0
ff9fd593-187d-4d32-a413-527cac720b74 Environmental → Water → Ocean EF 3.1 kg 2
685ae838-efc3-48f4-a69c-abf564dffc46 Environmental → Water → Surface water EF 3.1 kg 2
889cd268-808d-4b0e-bddd-ce1d446b31cd Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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