Metrafenone
fo-30e9e60b0851ecb3
Identity
- Type
- Neutral molecule
- CAS
- 220899-03-6
- EC
- 606-928-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 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
7- (3-bromo-6-methoxy-2-methylphenyl)(2,3,4-trimethoxy-6-methylphenyl)methanone
- 3'-bromo-2,3,4,6'-tetramethoxy-2',6-dimethylbenzophenone
- BAS 560 02F
- Flexity
- Methanone, (3-bromo-6-methoxy-2-methylphenyl)(2,3,4-trimethoxy-6-methylphenyl)-
- Metrafenone-PM
- Vivando
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | AMSPWOYQQAWRRM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3 |
| IUPAC name chemrof:IUPAC_name | 3'-bromo-2,3,4,6'-tetramethoxy-2',6-dimethylbenzophenone |
| Molecular formula chemrof:molecular_formula | C19H21BrO5 |
| Molecular mass chemrof:molecular_mass | 409.276 |
| Monoisotopic mass chemrof:monoisotopic_mass | 408.057236, 408.05724 |
| SMILES string chemrof:smiles_string | COc1cc(C)c(C(=O)c2c(OC)ccc(Br)c2C)c(OC)c1OC |
Known URLs
15Where 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=220899-03-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83345 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.133.245 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9058020 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2288405 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S04CWW41HM | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.312.799G | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155923 | enrich_references.pubchem_identifier_url |
| pesticides | pesticides:metrafenone | enrich_references.chebi_xrefs |
| ppdb | ppdb:468 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6451057 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16602071 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25123185 | enrich_references.chebi_xrefs |
| reaxys | reaxys:11343406 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q1925667 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 26f52837-6da4-4e8e-a3a5-4629550fc4b6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 534865d9-4cb0-422f-8cf7-d140731a8d4c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 149efe39-a617-4513-9c6c-9d7523c720b3 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| a80f2b72-2887-4131-913c-b9876bc4b44a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 48852671-9a20-4d29-9b4a-f5ee3ed0a4c2 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 22f128c5-b3c6-446a-802f-612b9f009486 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 1aa1e801-f155-425d-8983-01b243619ead | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 84523229-319c-42e6-95e8-b346ef714150 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 8b7f36a24f9b96cb1e4b5a28dbce45570a5eb0e5 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 4e5830ea-2102-4799-b6aa-bec8c8e8c4ba | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 280ce511-1c92-4c12-bd16-19deb77d9b8c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 59a67585-e42b-47a0-9db5-50d52ce5699c | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| eb552f18-cf39-4384-930e-27fa4d46df9f | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| abac7365-c739-47d7-bba4-6080821dc8de | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 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