3,4-dichloro-α-(trichloromethyl)benzyl Acetate
fo-29bb75fc14ff6e61
Identity
- Type
- Neutral molecule
- CAS
- 21757-82-4
- EC
- 244-573-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
14- (±)-Acetofenate
- 1-(3,4-Dichlorophenyl)-2,2,2-trichloroethyl acetate
- 2,2,2-Trichloro-1-(3,4-dichlorophenyl)ethyl acetate
- Acetofenate
- BAY-MEB 6046
- Baygon MEB
- Benzenemethanol, 3,4-dichloro-α-(trichloromethyl)-, 1-acetate
- Benzenemethanol, 3,4-dichloro-α-(trichloromethyl)-, acetate
- Benzyl alcohol, 3,4-dichloro-α-(trichloromethyl)-, acetate
- Penfenate
- Plifenate
- β,β,β-Trichloro-α-(3,4-dichlorophenyl)ethanol acetate
- β,β,β-Trichloro-α-(3,4-dichlorophenyl)ethyl acetate
- Plifenat
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | FSGNOVKGEXRRHD-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3 |
| IUPAC name chemrof:IUPAC_name | 3,4-dichloro-α-(trichloromethyl)benzyl Acetate |
| Molecular formula chemrof:molecular_formula | C10H7Cl5O2 |
| Molecular mass chemrof:molecular_mass | 336.429 |
| Monoisotopic mass chemrof:monoisotopic_mass | 333.888868 |
| SMILES string chemrof:smiles_string | CC(=O)OC(c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl |
Known URLs
9Where 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=21757-82-4 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.040.506 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID20865012 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T5WLD846CM | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.822C | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.684F | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.685D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/89040 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81986409 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 21575dca-cac9-453e-8286-a4ed107d57f2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 0a0c1d5d-a396-49da-8ee0-9d4c2a06ea1f | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 491cc29b-045f-4234-a431-b4d2a0ffc114 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 068f5ad4-6426-4914-b3eb-e6fc3dfeb2e3 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 34faa239-bc9b-4843-883a-3f7388a6de1f | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 0a4144df-d0df-48b8-a8e0-b72d266efd1e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c8b383dd-e91f-4166-9d38-8a749f2065a2 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fc87456a-5a73-4cc4-9a6f-fb0001741b28 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| d866ce4429785212421f9768c77b8694904ad926 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| fc3d5a43-b8bf-4672-abc7-32763d361712 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| b328250d-8145-4cef-8d2a-c5cc2ea11dc5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a48778cc-04cb-44c9-a917-ebb887c788ca | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 66514886-be86-49f8-891d-fdc85537360e | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| bbb903d4-9ae7-4061-8040-88e672dfac3d | 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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"https://commonchemistry.cas.org/detail?cas_rn=21757-82-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=21757-82-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"244-573-7"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=244-573-7"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"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