Uniconazole
fo-53d850ed7cba1b9a
Identity
- Type
- NeutralMolecule
- CAS
- 83657-22-1
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
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 |
| 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 |
| plant growth regulator CHEBI:26155 | A chemical, natural or artificial, that can affect the rate of growth of a plant. | ChEBI |
Alternative labels
13- (E)-(+-)-beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
- (E)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol
- (βE)-β-[(4-Chlorophenyl)methylene]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol
- 1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methylene]-α-(1,1-dimethylethyl)-, (E)-
- 1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methylene]-α-(1,1-dimethylethyl)-, (E)-(±)-
- 1H-1,2,4-Triazole-1-ethanol, β-[(4-chlorophenyl)methylene]-α-(1,1-dimethylethyl)-, (βE)-
- Majic
- Majic S 3307D
- Pentefenzol
- Prunit
- rac-(1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol
- Sumagic
- Sumiseven
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | YNWVFADWVLCOPU-MDWZMJQESA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+ |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1)n1cncn1 |
| IUPAC name chemrof:IUPAC_name | (E)-(+-)-beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol |
| Molecular formula chemrof:molecular_formula | C15H18ClN3O |
| Molecular mass chemrof:molecular_mass | 291.782 |
| Monoisotopic mass chemrof:monoisotopic_mass | 291.11384 |
| SMILES string chemrof:smiles_string | CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n1cncn1 |
Known URLs
3Where 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 |
|---|---|---|
| beilstein | beilstein:7517240 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=83657-22-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38000 | enrich_references.chebi_id_link |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 192fb400-8a09-4758-9644-2a337254a5d4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5ec6092f-77ea-47d1-adf4-40309e3f5329 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 0f54df51-11fc-4eb3-8d20-b32cc52b983d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 1d97863b-f997-4421-bc2c-054d73762467 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ae653a89-1712-4926-a374-ba1ce8880d8b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 7e83bf5c-bc45-42d8-9807-04e7e368df39 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 02c56727-10a3-4339-af8b-654b26cbae5f | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4ddcd296-ff61-41fd-92ab-de1bcae88238 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 7b5527ab-7a7b-4c5a-baad-5d3dfd0e9267 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| b1fd3ba1-9c87-40f0-9786-8d321d2f8cdb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| eec06377-d383-4580-b322-3a1e76d0a4cf | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4572871a-64ac-4499-b559-4486e99ca931 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 23559a6c-f921-4518-838f-a77edbfd14b5 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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"http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@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": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_26155",
"rdfs:label": "plant growth regulator",
"http://www.w3.org/2004/02/skos/core#definition": "A chemical, natural or artificial, that can affect the rate of growth of a plant.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}