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(4-Chlorophenoxy)acetic acid

fo-8f05438d654783e5

Identity

Type
Neutral molecule
CAS
122-88-3
EC
204-581-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for (4-Chlorophenoxy)acetic acid

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

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SODPIMGUZLOIPE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
IUPAC name chemrof:IUPAC_name (4-Chlorophenoxy)acetic acid
Molecular formula chemrof:molecular_formula C8H7ClO3
Molecular mass chemrof:molecular_mass 186.594
Monoisotopic mass chemrof:monoisotopic_mass 186.00837, 186.008372
SMILES string chemrof:smiles_string O=C(O)COc1ccc(Cl)cc1

Known URLs

22

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=122-88-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:1808 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.166 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9034282 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8769 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL178018 enrich_references.pubchem_identifier_url
gmelin gmelin:397082 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4EMM3U5P3K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246399 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2918.99.18.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.495C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07088 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07088 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52871 enrich_references.pubchem_identifier_url
ppdb ppdb:7 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/26229 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017851 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11523589 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17215075 enrich_references.chebi_xrefs
reaxys reaxys:1211804 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q4637113 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Chlorophenoxyacetic_acid enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
e0c97df6-fbcc-4f10-a61d-aa48c57c7eac Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4baf1f80-df9a-4d27-ad5d-6b210b8245c0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
01bec6a3-ccc6-4ec1-97c5-679f80fa3296 Environmental → Air → Indoor EF 3.1 kg 2
add7ec09-3b85-492f-8cd7-cb274cbb3a72 Environmental → Air → Long-term EF 3.1 kg 0
ee743e3e-6a92-4492-a101-cc8a17a03078 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5a94f889-2e6e-4cc5-959d-46632406eccb Environmental → Air → Unknown EF 3.1 kg 2
ee0e60fb-97b9-4675-b66e-9282a9e6db11 Environmental → Ground → Agricultural EF 3.1 kg 2
6df1eecf-f284-45a3-86dc-c869463fae38 Environmental → Ground → Non-agricultural EF 3.1 kg 2
acd4aae78d45e9076f7199132d04e388737e20a5 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
914e2e5c-537f-497f-81fc-eacd7df95da3 Environmental → Ground → Unknown EF 3.1 kg 2
097b3961-8be5-4ca8-bdd2-3637461426ea Environmental → Water → Long-term EF 3.1 kg 0
2dba102b-79a0-4b3f-b581-88a57597f356 Environmental → Water → Ocean EF 3.1 kg 2
153bb72e-65ed-47e9-8189-bc4d6e55af11 Environmental → Water → Surface water EF 3.1 kg 2
448c380b-a618-4bac-a7b3-dbda86cf54da Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8f05438d654783e5",
  "prefLabel": [
    {
      "@value": "(4-Chlorophenoxy)acetic acid",
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  "altLabel": [
    {
      "@value": "(p-chlorophenoxy)acetic acid",
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}

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