Tetraconazole
fo-e1cb04508038fed1
Identity
- Type
- Neutral molecule
- CAS
- 112281-77-3
- EC
- 407-760-6
- 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
16- (+-)-tetraconazole
- (+/-) 2-(2,4-dichlorophenyl)-3-(1h-1,2,4-triazole-1-yl)propyl-1,1,2,2-tetrafluoroethylether
- (RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether
- (RS)-tetraconazole
- 1-[2-(2,4-Dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole
- 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-
- 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-, (±)-
- Domark
- Emerald
- Eminent
- Greman
- Perissim
- rac-1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole
- rac-tetraconazole
- racemic tetraconazole
- Salvatore ME
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LQDARGUHUSPFNL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2 |
| IUPAC name chemrof:IUPAC_name | (RS)-2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl 1,1,2,2-tetrafluoroethyl ether |
| Molecular formula chemrof:molecular_formula | C13H11Cl2F4N3O |
| Molecular mass chemrof:molecular_mass | 372.146, 372.149 |
| Monoisotopic mass chemrof:monoisotopic_mass | 371.02153 |
| SMILES string chemrof:smiles_string | FC(F)C(F)(F)OCC(Cn1cncn1)c1ccc(Cl)cc1Cl |
Known URLs
22Where 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=112281-77-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81782 | enrich_references.chebi_id_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83999 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.923 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.218.522 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8034956 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2137654 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8FGY868T0G | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0258876 | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18490 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18490 | enrich_references.pubchem_identifier_url |
| patent | patent:WO2012020772 | enrich_references.chebi_xrefs |
| pesticides | pesticides:tetraconazole | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/80277 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21792537 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22278951 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23813125 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24054232 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24705896 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24861743 | enrich_references.chebi_xrefs |
| reaxys | reaxys:6638561 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27157376 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0da8fada-03a3-4f75-85f2-3cfb86972b4f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| a9edc135-2391-45cf-b0d2-4d0ff41458db | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 453ba7bc-50c3-4490-82de-6a107fdf0bfc | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 80d699ea-cb8c-405f-b408-cabf66c430b5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b88aafec-5f0d-4df1-bce8-b22fcd98a2b2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| a85e6f76-63bd-4900-b5c1-65e1efadb562 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 32b9b0e5-e363-410f-94e5-e6c24fdbd50a | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| b554e245-4405-4d12-b1f1-37845bb39880 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| e9cac2523da9974b44b2aa775fda7255151ff80e | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 7c1401e3-7ada-4b4f-8fe3-062147c181fb | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 58903e38-5590-4ac7-91b1-f47fd27db66a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 01a60eeb-06ca-4ede-82e3-09c06850787a | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 284e07ee-b681-4981-bc7e-038a30c171af | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c5e0c380-1300-443d-8a08-d0fef4c41903 | 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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}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