2,3,3',4,4'-pentachlorodiphenylether
fo-3a720350430b1131
Identity
- Type
- Neutral molecule
- CAS
- 85918-31-6
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 51 across every transformer
Structure
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | PKEGIXYNAGGYPN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H5Cl5O/c13-7-2-1-6(5-9(7)15)18-10-4-3-8(14)11(16)12(10)17/h1-5H |
| IUPAC name chemrof:IUPAC_name | 1,2,3-trichloro-4-(3,4-dichlorophenoxy)benzene, 1-[3,4-bis(chloranyl)phenoxy]-2,3,4-tris(chloranyl)benzene |
| Molecular formula chemrof:molecular_formula | C12H5Cl5O |
| Molecular mass chemrof:molecular_mass | 342.436 |
| Monoisotopic mass chemrof:monoisotopic_mass | 339.878303 |
| SMILES string chemrof:smiles_string | C1=CC(=C(C=C1OC2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl |
Known URLs
6Where 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=85918-31-6 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90235243 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B5JEN0XNBV | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J772.320B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/92412 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27274396 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| de8e5e4f-f4d5-4fd9-be19-071f0aacc3e7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 12ebff5f-19c7-471e-9e2e-724b8980f4ea | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 526ce745-664f-4b83-ae49-f5a7ae4891fb | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| d3d8e066-2fe6-4512-ac6c-c5114dcb1cbf | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 01ba2418-93d7-4668-b572-715465332775 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ea6455c7-324b-4ab7-9386-90f189b01ddd | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| ae8602fe-7e2f-4d7a-a2da-6af842e9cd41 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 1195e6cb-afde-492e-861b-1124e1326059 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 832645ee-8c19-4fe2-9534-c92ad06e33a2 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| c0dfdbfd-2137-4da8-a20d-fb6517a6388a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4caf87f3-1f19-41bd-816f-e96456b17ed2 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6e6a1552-a652-45f5-8202-8205387dc7b0 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| b43880f8-dbb8-4d2e-adb1-4a1131fabdae | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (51 changes)
Full record
Flow object JSON
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}Something wrong here?
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- This is not that chemical
- This record is two substances, or it is a second copy of one
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