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Diclofop

fo-5eca9cb230563e00

Identity

Type
Neutral molecule
CAS
40843-25-2
EC
609-871-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
67 across every transformer

Structure

Structure diagram for Diclofop

What it is used for

2

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
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 OOLBCHYXZDXLDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)
IUPAC name chemrof:IUPAC_name (+-)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
Molecular formula chemrof:molecular_formula C15H12Cl2O4
Molecular mass chemrof:molecular_mass 327.16, 327.163
Monoisotopic mass chemrof:monoisotopic_mass 326.01126, 326.011264
SMILES string chemrof:smiles_string CC(Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O

Known URLs

23

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=40843-25-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:145406 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81909 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.260 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5041859 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB03781 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2288781 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3LN56779KT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.671G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18716 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18716 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=148270 enrich_references.pubchem_identifier_url
pesticides pesticides:diclofop enrich_references.chebi_xrefs
ppdb ppdb:764 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/38687 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=570153 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/22770422 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23785039 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24240105 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28884187 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30375865 enrich_references.chebi_xrefs
reaxys reaxys:2338390 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27155655 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
1a6153e4-a784-4129-89cc-582c9cccb4f9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
53b0097c-aaf3-482c-9e7c-dfa51a5ec969 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a206fe97-eb8f-4b71-b94b-09e8818a439f Environmental → Air → Indoor EF 3.1 kg 2
d0d3928f-4f93-4ed2-afdf-c178866fc723 Environmental → Air → Long-term EF 3.1 kg 0
4a946ba7-a998-446b-a144-d592a1c4c96a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d09e36c7-8584-4cb7-b789-a52dead8ac9c Environmental → Air → Unknown EF 3.1 kg 2
29283fdd-8539-4735-b206-0f456e2ad8f2 Environmental → Ground → Agricultural EF 3.1 kg 2
a15f468e-b1a0-4716-9c60-9e0fc4d4d0b9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
17ec9634114a82842661ea9964e4360eb05a11de Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
ef6e0ac3-5cf4-4702-ae52-65e62e78d116 Environmental → Ground → Unknown EF 3.1 kg 2
c8be00fc-7180-40a9-98ce-35c036475c44 Environmental → Water → Long-term EF 3.1 kg 0
a2163468-a69d-411b-9a55-97a81eee6f64 Environmental → Water → Ocean EF 3.1 kg 2
a321d41e-f616-4d5b-a7a0-da346e0b4b5e Environmental → Water → Surface water EF 3.1 kg 2
e798b36b-7ead-408e-9b1a-845a44bf174e Environmental → Water → Unknown EF 3.1 kg 2
47cf701e-08b6-4a0a-993d-e8e80b9bcbe1 deprecated Environmental → Ground → Agricultural EF 3.1 kg 0

History

Everything that changed this substance (67 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-5eca9cb230563e00",
  "prefLabel": [
    {
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    },
    {
      "@value": "(RS)-2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid",
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      }
    },
    {
      "@value": "(±)-Diclofop",
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      "@value": "2-[4-(2′,4′-Dichlorophenoxy)phenoxy]propionic acid",
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    },
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      "@value": "diclofop free acid",
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      "@value": "Propanoic acid, 2-[4-(2,4-dichlorophenoxy)phenoxy]-",
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  "references": [
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