Consensus flow list

Sodium 2,3,6-trichlorophenylacetate

fo-38b0949394468715

Identity

Type
ChemicalSalt
CAS
2439-00-1
EC
219-454-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Sodium 2,3,6-trichlorophenylacetate

What it is used for

4

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
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YPWJVPXHSDMPQB-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C8H5Cl3O2.Na/c9-5-1-2-6(10)8(11)4(5)3-7(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 2,3,6-trichlorophenylacetate
Molecular formula chemrof:molecular_formula C8H4Cl3NaO2, C8H4Cl3O2.Na
Molecular mass chemrof:molecular_mass 261.467
Monoisotopic mass chemrof:monoisotopic_mass 259.917457, 259.91746
SMILES string chemrof:smiles_string O=C([O-])Cc1c(Cl)ccc(Cl)c1Cl.[Na+]

Known URLs

9

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=2439-00-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:142833 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.686 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4041319 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z5HX5BO6XP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J216.077C enrich_references.pubchem_identifier_url
pesticides pesticides:derivatives/chlorfenac-sodium enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23691996 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27295027 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e41352e7-1380-43d4-81d5-a1a76b25dbfd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2ead929c-daa0-4eb4-98bd-ed9552fd5de7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0f9af52a-e472-403e-b24e-fe93b0fdd5e8 Environmental → Air → Indoor EF 3.1 kg 2
71650d74-2095-4df7-b243-c62bb9335859 Environmental → Air → Long-term EF 3.1 kg 0
86dc4856-4937-4994-a4dc-c0002784391b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9e0ef294-0a57-4157-82c8-e0e99e910ed6 Environmental → Air → Unknown EF 3.1 kg 2
acaf9450-12cf-48fa-a2af-f3c49178195b Environmental → Ground → Agricultural EF 3.1 kg 2
d0e2f008-8bdc-4c28-8615-9c8f67ebad6c Environmental → Ground → Non-agricultural EF 3.1 kg 2
2bb3b74f-9be4-4060-a703-635f7abdccc1 Environmental → Ground → Unknown EF 3.1 kg 2
f471a48a-ad81-4681-9afb-cef44c3bfe26 Environmental → Water → Long-term EF 3.1 kg 0
659cebff-20b7-4c20-8dcf-ceb00a29d598 Environmental → Water → Ocean EF 3.1 kg 2
dbdc8c3c-ced8-4e84-b52b-1cf240742cca Environmental → Water → Surface water EF 3.1 kg 2
185e9e1e-3b68-4901-9b32-ad30c0dcef81 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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