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Sodium 3,6-dichloro-o-anisate

fo-5af5a78002e2c5da

Identity

Type
Chemical salt
CAS
1982-69-0
EC
217-846-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Sodium 3,6-dichloro-o-anisate

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
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

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HLZCHRAMVPCKDU-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C8H6Cl2O3.Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 3,6-dichloro-o-anisate
Molecular formula chemrof:molecular_formula C8H5Cl2NaO3, C8H5Cl2O3.Na
Molecular mass chemrof:molecular_mass 243.021
Monoisotopic mass chemrof:monoisotopic_mass 241.95134, 241.951344
SMILES string chemrof:smiles_string COc1c(Cl)ccc(Cl)c1C(=O)[O-].[Na+]

Known URLs

14

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=1982-69-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:194158 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.225 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.15303.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8027450 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4U752K13RR enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.188E enrich_references.pubchem_identifier_url
pesticides pesticides:/derivatives/dicamba-sodium enrich_references.chebi_xrefs
pmc pmc:PMC9735837 enrich_references.chebi_xrefs
ppdb ppdb:3373 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23680611 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/34073369 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27260510 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d08be92a-68e4-485a-aa4b-ba42ed6e6cd7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ca70d727-eec0-4d95-b901-3c74bc02484e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
13033727-1711-4352-ad1c-f007ba808406 Environmental → Air → Indoor EF 3.1 kg 2
d5dbf39a-7031-417a-a021-5cc5a0b22446 Environmental → Air → Long-term EF 3.1 kg 0
d5a0b048-50ee-4a70-936e-b7525e82b20b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c0e67043-ed09-4248-ba3b-17f9056d2754 Environmental → Air → Unknown EF 3.1 kg 2
5894b679-fddb-49de-8128-f12490ba9b77 Environmental → Ground → Agricultural EF 3.1 kg 2
ac25799d-941a-41fc-a271-bf17548f190c Environmental → Ground → Non-agricultural EF 3.1 kg 2
7ee120f2-fe50-447b-ac2f-f7ffe0d61656 Environmental → Ground → Unknown EF 3.1 kg 2
7d614eed-a0bf-4c88-bae2-af6c2a7e1514 Environmental → Water → Long-term EF 3.1 kg 0
99962a6b-403d-461c-9471-7ddb090ad487 Environmental → Water → Ocean EF 3.1 kg 2
89828d2c-f761-43f5-b7df-9a79745c4b17 Environmental → Water → Surface water EF 3.1 kg 2
b56ff047-c96c-48a3-9bb2-52b822169861 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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}

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