Consensus flow list

Identity

Type
NeutralMolecule
CAS
93-76-5
EC
202-273-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 2,4,5-trichlorophenoxyacetic Acid

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
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

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SMYMJHWAQXWPDB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
IUPAC name chemrof:IUPAC_name 2,4,5-trichlorophenoxyacetic Acid
Molecular formula chemrof:molecular_formula C8H5Cl3O3
Molecular mass chemrof:molecular_mass 255.484
Monoisotopic mass chemrof:monoisotopic_mass 253.930427, 253.93043
SMILES string chemrof:smiles_string O=C(O)COc1cc(Cl)c(Cl)cc1Cl

Known URLs

29

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=93-76-5 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/AJ802C80.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27903 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.068 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0075 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021388 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=430 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL194458 enrich_references.pubchem_identifier_url
gmelin gmelin:434052 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9Q963S4YMX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245475 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.941A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07100 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07100 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-24946 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51506 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-10896 enrich_references.chebi_xrefs
pesticides pesticides:2,4,5-t enrich_references.chebi_xrefs
ppdb ppdb:1532 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1480 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/#2811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3345 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017856 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23085749 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23167922 enrich_references.chebi_xrefs
reaxys reaxys:2055620 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q209188 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4,5-Trichlorophenoxyacetic_acid enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
e2fb52ef-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9183-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8a093717-1092-438f-9c08-566c29631063 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9182-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9184-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9181-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-917f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9188-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
624536c254c6665160df28f919f2d7224103c0d9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9180-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9186-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9189-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9185-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9187-0050c2490048 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
{
  "flow_object_id": "fo-4d341d303e0b9412",
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  ],
  "altLabel": [
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    },
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