Fenchlorazole-ethyl
fo-441bf2ca07bc31e2
Identity
- Type
- Neutral molecule
- CAS
- 103112-35-2
- EC
- 401-290-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
3- 1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester
- Fenchlorazole-Et
- HOE 070542
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | GMBRUAIJEFRHFQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 1H-1,2,4-Triazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-, ethyl ester |
| Molecular formula chemrof:molecular_formula | C12H8Cl5N3O2 |
| Molecular mass chemrof:molecular_mass | 403.48 |
| Monoisotopic mass chemrof:monoisotopic_mass | 400.90591, 400.905915 |
| SMILES string chemrof:smiles_string | CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1 |
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=103112-35-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81992 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.323 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.113.900 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.126.688 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6041268 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2229892 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4R856T003A | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J474.548E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18831 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18831 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=127430 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3033865 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27155674 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| df99228f-9707-43d9-83ad-54c71ade5c84 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| dd606525-638e-48a4-8342-2c549a2b066f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d1631237-d5c9-4277-a2d7-c8c83761b473 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4c5df79a-07fd-4c15-af12-c392a44dc712 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 82329bce-63f5-4208-9b42-d8a8d0518454 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| f2658f7c-ee39-4ea7-8fb2-1b18e33a1a6f | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5a1bc05e-95e3-4f0f-b797-31d4c7c5ef41 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 383674ae-c2e2-4dd0-b9cb-74b7954de5b5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 554756c858fc2c368fe8291d25d6cbc6bd24b899 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 131f7535-f934-4628-a620-df21a35fa66d | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 38040a06-41e6-4e59-ad53-ae4b5842bf91 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 3c72d716-893e-4f2c-ab57-a2529147ca95 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 995d51f3-5e74-4cf2-8026-fa14e9f11b2a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| a71a88e2-2c61-4f8e-8cd0-73b41f3215e3 | 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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"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"401-290-5"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=401-290-5"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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