Coumachlor
fo-4db89dc16793d240
Identity
- Type
- Neutral molecule
- CAS
- 81-82-3
- EC
- 201-378-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
15- (±)-3-(α-Acetonyl-4-chlorobenzyl)-4-hydroxy coumarin
- (±)-Coumachlor
- (±)-p-Chlorowarfarin
- 2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-
- 3-(α-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin
- 3-(α-p-Chlorophenyl-β-acetylethyl)-4-hydroxycoumarin
- 3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-1-benzopyran-2-one
- 3-[1-(p-Chlorophenyl)-2-acetylethyl]-4-hydroxycoumarin
- Coumarin, 3-(α-acetonyl-p-chlorobenzyl)-4-hydroxy-
- Cumachlor
- DL-3-(α-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin
- Geigy Rodenticide Exp. 332
- p-Chlorowarfarin
- Racemic coumachlor
- Tomorin
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DEKWZWCFHUABHE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3 |
| IUPAC name chemrof:IUPAC_name | (±)-3-(α-Acetonyl-4-chlorobenzyl)-4-hydroxy coumarin |
| Molecular formula chemrof:molecular_formula | C19H15ClO4 |
| Molecular mass chemrof:molecular_mass | 342.778 |
| Monoisotopic mass chemrof:monoisotopic_mass | 342.065887, 342.06589 |
| SMILES string chemrof:smiles_string | CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O |
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=81-82-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:80741 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.254 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8041797 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1272169 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UCD8XZW42P | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0250485 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.608H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C16805 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C16805 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:179 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/54682651 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q5176191 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Coumachlor | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d48bba04-ed9d-4764-8de6-65b56917adaf | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 47dfac6f-767a-46c0-8e02-5f21de844499 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d8cb2e0b-c728-4179-b640-3ae4deb23773 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| fe025848-d708-437d-8dab-af833ae04bbb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 12b0e02d-0ab0-4ec7-ad65-13c082dcb5b1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 84b39177-8634-458e-80d7-3b1b799ee6d6 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 84a22a07-ddfb-4b84-9c37-f721682c5692 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 198a4a33-9d5b-4bf3-8ccc-b2e0b5fda2f7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| fdc589a7-dc33-4b8c-82f8-1dc95c601743 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| ab63ba05-6c1e-4b77-883d-8f0a9cc47232 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| fb7994af-9ba0-4658-8547-28f1048909a9 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 9373e00d-debd-4791-a15e-f47a8e6ec7fa | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| cdbea279-2ddc-4e02-8fdc-679d6b6c5bfe | 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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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