Consensus flow list

Identity

Type
NeutralMolecule
CAS
50-31-7
EC
200-026-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for 2,3,6-TBA

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

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XZIDTOHMJBOSOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
IUPAC name chemrof:IUPAC_name 2,3,6-trichlorobenzoic acid
Molecular formula chemrof:molecular_formula C7H3Cl3O2
Molecular mass chemrof:molecular_mass 225.458
Monoisotopic mass chemrof:monoisotopic_mass 223.91986, 223.919862
SMILES string chemrof:smiles_string O=C(O)c1c(Cl)ccc(Cl)c1Cl

Known URLs

21

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
agr agr:IND83108191 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=50-31-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81946 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.025 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6040296 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=53133 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2260696 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VI4ST7ZIQG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.296I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18767 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18767 enrich_references.pubchem_identifier_url
pesticides pesticides:2,3,6-tba enrich_references.chebi_xrefs
ppdb ppdb:3 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5759 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/13885914 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16655176 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18967527 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25514054 enrich_references.chebi_xrefs
reaxys reaxys:1873934 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q26840982 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,3,6-Trichlorobenzoic_acid enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
0dab1448-b022-4fc6-8f41-de1101c1d4ba Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b6a1a3f8-76a4-4c06-8ae5-14f5e8094dc7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9349dd1e-9191-40c9-8e6d-ea37753f276c Environmental → Air → Indoor EF 3.1 kg 2
8196196c-be7f-4c33-8a0f-7cdd01e7c0d2 Environmental → Air → Long-term EF 3.1 kg 0
20ffe123-f1cc-4b11-b8eb-e8ab3069c298 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e9aaa9a6-d2e1-4bfa-82d6-239a86da24d1 Environmental → Air → Unknown EF 3.1 kg 2
ca1dc4e1-4cef-4486-a64b-07f436da7ee9 Environmental → Ground → Agricultural EF 3.1 kg 2
eb61a6c9-e379-4de6-989f-e8102f8a6c42 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4029deb4e2ce04f63489d9b19fb799c0cdda8593 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0f92ebfa-312d-4de9-9afd-dabf0cde963c Environmental → Ground → Unknown EF 3.1 kg 2
9272275f-1b24-4019-a4cf-93dd102f4606 Environmental → Water → Long-term EF 3.1 kg 0
4144b59c-c5e1-44c8-9a65-64b7926c468d Environmental → Water → Ocean EF 3.1 kg 2
f2614963-11e4-4cac-a4b6-2b786462f5e1 Environmental → Water → Surface water EF 3.1 kg 2
082b2e80-a906-4d0c-a22b-3ce09593c1a8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON
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