Triazoxide
fo-97f7c48507fed30c
Identity
- Type
- Neutral molecule
- CAS
- 72459-58-6
- EC
- 276-668-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
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
4- 1,2,4-Benzotriazine, 7-chloro-3-(1H-imidazol-1-yl)-, 1-oxide
- 7-chloro-3-(1h-imidazol-1-yl)-1,2,4-benzotriazine 1-oxide
- 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine 1-oxide
- Triazoxid
Properties
| Property | Value |
|---|---|
| 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
14Where 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 | https://www.wikidata.org/wiki/Q3136310 | enrich_references.pubchem_identifier_url |
Elementary flows
15| 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 |
| 3ee828bc5842c2ee34e098c597b795fb2ffacd2e | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| 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)
Full record
Flow object JSON
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"provenance": {
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],
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}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"276-668-4"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=276-668-4"
],
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],
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}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@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.",
"@language": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
"rdfs:label": "agrochemical",
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"provenance": {
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],
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}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
"rdfs:label": "fungicide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
"provenance": {
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}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
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],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works