Consensus flow list

(2,4-dichlorophenoxy)acetic Acid

fo-2bedeb13ae0f1d34

Identity

Type
NeutralMolecule
CAS
94-75-7
EC
202-361-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for (2,4-dichlorophenoxy)acetic Acid

What it is used for

5

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. 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
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

43

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OVSKIKFHRZPJSS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
IUPAC name chemrof:IUPAC_name (2,4-dichlorophenoxy)acetic Acid
Molecular formula chemrof:molecular_formula C8H6Cl2O3
Molecular mass chemrof:molecular_mass 221.039
Monoisotopic mass chemrof:monoisotopic_mass 219.969399, 219.9694
SMILES string chemrof:smiles_string O=C(O)COc1ccc(Cl)cc1Cl

Known URLs

38

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=94-75-7 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/AG682428.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28854 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.147 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0033 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020442 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2925 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL367623 enrich_references.pubchem_identifier_url
gmelin gmelin:51306 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2577AQ9262 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041797 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.947K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C03664 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C03664 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-19988 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49541 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-9009 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:CFA enrich_references.chebi_xrefs
pesticides pesticides:2,4-d enrich_references.chebi_xrefs
ppdb ppdb:4 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1486 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2765 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=009855 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10794133 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11165716 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11423340 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11566291 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12231832 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15198722 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16785163 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17568655 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18969687 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6362003 enrich_references.chebi_xrefs
reaxys reaxys:1214242 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q209222 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4-Dichlorophenoxyacetic_acid enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/2,4-dichlorophenoxyacetic_acid enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
e2fb52f5-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a837-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0138ed5b-74c8-4a8d-a526-6d12b26694e5 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a836-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a838-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a835-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-918a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a83c-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5d4ac3383c02bf44a9a69c1eb19ca8c695f110d7 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a834-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a83a-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a83d-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a839-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
3d54dfc112898b3ab1b7faafe170831dc6b764fd Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a83b-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "acide 2,4-dichloro phenoxyacetique",
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    {
      "@value": "Aminopielik 50SL",
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    },
    {
      "@value": "Amoxone",
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      }
    },
    {
      "@value": "B-Selektonon",
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      }
    },
    {
      "@value": "Barrage HF",
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      }
    },
    {
      "@value": "Basalcoat",
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    },
    {
      "@value": "Deherban",
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    },
    {
      "@value": "Desormone",
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    },
    {
      "@value": "Dichlorophenoxyacetic acid",
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    },
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      "@value": "Diclordon",
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      }
    },
    {
      "@value": "Dicopur",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Esterone",
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      "provenance": {
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      }
    },
    {
      "@value": "Fernimine",
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      }
    },
    {
      "@value": "Foredex 75",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hedonal",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Hedonal (herbicide)",
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    },
    {
      "@value": "Huragan",
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      }
    },
    {
      "@value": "Invesamina 480SL",
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      }
    },
    {
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