Consensus flow list

Haloxyfop- (R) Methylester

fo-032d6646c58b84e2

Identity

Type
NeutralMolecule
CAS
72619-32-0
EC
406-250-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
68 across every transformer

Structure

Structure diagram for Haloxyfop- (R) Methylester

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

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MFSWTRQUCLNFOM-SECBINFHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3/t9-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string COC(=O)[C@@H](C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
IUPAC name chemrof:IUPAC_name Methyl (r)-2-(4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy)propionate, methyl (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
Molecular formula chemrof:molecular_formula C16H13ClF3NO4
Molecular mass chemrof:molecular_mass 375.73
Monoisotopic mass chemrof:monoisotopic_mass 375.04852
SMILES string chemrof:smiles_string COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

Known URLs

14

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=72619-32-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:136729 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.784 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8058249 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2286458 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7VD796HHTS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J671.317C enrich_references.pubchem_identifier_url
pesticides pesticides:derivatives/haloxyfop-p-methyl enrich_references.chebi_xrefs
ppdb ppdb:1068 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13363033 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/25742319 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26449612 enrich_references.chebi_xrefs
reaxys reaxys:13995533 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27268911 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
a1380373-5f87-4483-bade-85e0860ff386 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2bfc95e1-2686-4e8c-8cc8-ce72f1539812 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
408c5d3f-476f-4d40-93b5-747cb4e3ab0d Environmental → Air → Indoor EF 3.1 kg 2
cba7f7ae-4542-4e20-83fe-3a5b245f450f Environmental → Air → Long-term EF 3.1 kg 0
cd0d2ef7-bae6-430b-bd61-10088b7b5b9c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1294f36f-678c-4bac-b600-ea4ebe26a99e Environmental → Air → Unknown EF 3.1 kg 2
d275c4a2-4977-49e4-9483-a1352a30ad60 Environmental → Ground → Agricultural EF 3.1 kg 2
27c2d423-ec31-45fb-8959-1a606b056481 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6714b822227209601ab283cfc9e19958db20444d Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
75a8a439-ebc4-43ce-917f-48a1cd585a4a Environmental → Ground → Unknown EF 3.1 kg 2
af340901-11d7-4682-b9a3-1429fd90e181 Environmental → Water → Long-term EF 3.1 kg 0
006cb972-0b6d-42f8-845e-0c2762de0fc6 Environmental → Water → Ocean EF 3.1 kg 2
d2d59337-acc0-482d-ac7c-f3e342c074bb Environmental → Water → Surface water EF 3.1 kg 2
72d6417d-f334-40c8-baf9-c9bbd8d05af9 Environmental → Water → Unknown EF 3.1 kg 2
f20d5f26-c097-4d93-a72c-dcc76f462977 deprecated Environmental → Ground → Agricultural EF 3.1 kg 0

History

Everything that changed this substance (68 changes)

Open the changes page

Full record

Flow object JSON 
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