Consensus flow list

Identity

Type
NeutralMolecule
CAS
72459-58-6
EC
276-668-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Triazoxide

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
fungicide CHEBI:24127 A substance used to destroy fungal 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

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IQGKIPDJXCAMSM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H6ClN5O/c11-7-1-2-8-9(5-7)16(17)14-10(13-8)15-4-3-12-6-15/h1-6H
IUPAC name chemrof:IUPAC_name 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine 1-oxide
Molecular formula chemrof:molecular_formula C10H6ClN5O
Molecular mass chemrof:molecular_mass 247.645
Monoisotopic mass chemrof:monoisotopic_mass 247.026087, 247.02609
SMILES string chemrof:smiles_string [O-][n+]1nc(-n2ccnc2)nc2ccc(Cl)cc21

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=72459-58-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83335 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.069.677 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3058169 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1C2N58DT4P enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J296.314K enrich_references.pubchem_identifier_url
patent patent:DE2802488 enrich_references.chebi_xrefs
patent patent:US4239760 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:triazoxide enrich_references.chebi_xrefs
ppdb ppdb:654 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93422 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/25269251 enrich_references.chebi_xrefs
reaxys reaxys:617803 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q3136310 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f5be701b-e8f3-4aed-80d7-ce2beba9c0de Environmental → Air → Aircraft cruise height EF 3.1 kg 4
13a9f050-44b8-4ac8-9091-6f566199a5dd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
159101ef-9e38-41a0-ab84-fbb5aedd6175 Environmental → Air → Indoor EF 3.1 kg 4
76e1cf00-2102-4990-8a01-d05dc2cb4889 Environmental → Air → Long-term EF 3.1 kg 0
42938ee2-a424-4b6e-8382-8be3abdfb23f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9acc458f-b53e-4f81-8e49-c541062769dd Environmental → Air → Unknown EF 3.1 kg 4
6f93e14c-c284-4b4c-9c39-db096a364106 Environmental → Ground → Agricultural EF 3.1 kg 4
afddc959-0849-49fd-a17d-c68345e5202e Environmental → Ground → Non-agricultural EF 3.1 kg 4
974aea0f8e9e69c889dadd95602a85912af534b0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0ff66974-2d30-4657-85ea-50d62db858c8 Environmental → Ground → Unknown EF 3.1 kg 4
be20b053-acc5-4468-b88b-0870e6c9b954 Environmental → Water → Long-term EF 3.1 kg 0
52b1db97-cd25-43d2-bc3b-2fc360407582 Environmental → Water → Ocean EF 3.1 kg 4
98a1d751-a12d-46a0-9cf2-c96086b4de53 Environmental → Water → Surface water EF 3.1 kg 4
610abfaf-2116-438a-9473-0a883784a8a5 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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    },
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    {
      "@value": "A member of the class of benzotriazines that is 1,2,4-benzotriazine 1-oxide which is substituted by chlorine at position 7 and by a 1H-imidazol-1-yl group at position 3. A fungicide, it is used as a seed treatment for control of seed-borne Pyrenophora graminea and Pyrenophora teres in barley.",
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    }
  ]
}

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