Consensus flow list

Fluazifop-p-butyl

fo-7a288a057a8a96e9

Identity

Type
NeutralMolecule
CAS
79241-46-6
EC
274-125-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Fluazifop-p-butyl

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
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

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VAIZTNZGPYBOGF-CYBMUJFWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
IUPAC name chemrof:IUPAC_name butyl (2R)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
Molecular formula chemrof:molecular_formula C19H20F3NO4
Molecular mass chemrof:molecular_mass 383.366
Monoisotopic mass chemrof:monoisotopic_mass 383.13444, 383.134443
SMILES string chemrof:smiles_string CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

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
agr agr:IND601311742 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=79241-46-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132964 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.123.086 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0034855 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1864569 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N99K0AJ91S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J491.291H enrich_references.pubchem_identifier_url
pesticides pesticides:fluazifop-p-butyl enrich_references.chebi_xrefs
ppdb ppdb:324 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3033674 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21487707 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23387923 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25149239 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26147883 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26628016 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26735732 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27157530 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27378613 enrich_references.chebi_xrefs
reaxys reaxys:8346184 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1430447 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
3e4d9ec5-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3e4dc5a0-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
07ea3d25-e450-4d81-9847-1c1f0994efb1 Environmental → Air → Indoor EF 3.1 kg 4
3e4d9ec4-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Long-term EF 3.1 kg 0
3e4d9ec6-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3e4d9ec3-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a5da-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-93e0-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b6a6728991e23ffcf9eb3deeb639d62d9fd58ee6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a5db-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a5dd-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-93e1-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a5dc-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4aa140faad99963ea9c037101804bcf4fa84a47c Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a5de-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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