2,4,5,2',5'-pentachlorobiphenyl
fo-71f46c21a5a836b9
Identity
- Type
- Neutral molecule
- CAS
- 37680-73-2
- EC
- 621-393-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
What it is used for
2
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 |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
| persistent organic pollutant CHEBI:77853 | Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. | ChEBI |
Alternative labels
10- 1,1′-Biphenyl, 2,2′,4,5,5′-pentachloro-
- 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
- 2,2',4,5,5'-pentachlorobiphenyl
- 2,2′,4,5,5′-PCB
- 2,2′,4,5,5′-Pentachloro-1,1′-biphenyl
- 2,2′,4,5,5′-Pentachlorobiphenyl
- 2,2′,4′,5,5′-Pentachlorobiphenyl
- 2,4,5,2′,5′-Pentachlorobiphenyl
- 2,5,2′,4′,5′-Pentachlorobiphenyl
- PCB 101
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LAHWLEDBADHJGA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H |
| IUPAC name chemrof:IUPAC_name | 2,4,5,2',5'-pentachlorobiphenyl |
| Molecular formula chemrof:molecular_formula | C12H5Cl5 |
| Molecular mass chemrof:molecular_mass | 326.437 |
| Monoisotopic mass chemrof:monoisotopic_mass | 323.883389, 323.88339 |
| SMILES string chemrof:smiles_string | Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1 |
Known URLs
12Where 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=37680-73-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:233349 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.150.249 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8038304 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14041 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/803YVI5BNP | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0246225 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J147.958J | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=156011 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/37807 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33299007 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27269110 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1a99cab5-ac0d-457a-9e58-99ac1c446918 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 843b3c57-f9d4-4f45-bc68-73ac49823cf6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 5ad6a4b0-cfe3-4062-ac92-df6ee9c9347d | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 29cf83f3-7e3d-4107-b83b-1a9cdf342c79 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0308e4a7-8481-48ab-8fd5-dad2860c59b7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 473146f3-79c4-43ee-9e3f-fa9ed46295fb | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5fb52390-ccb0-4135-8f37-9b0e68e5df4b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fd7505a3-f2a2-4188-8f8d-d8a0a15c0ea3 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 34ed29b4-5bb9-4234-8690-6ff347f57fcd | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| b6e26d8b-690d-4971-b918-aaa9fac116fa | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 43c3c84b-0950-469d-8199-e6ede3364bf4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 62a41ff2-f223-41f5-ab64-f1a0f3d79ded | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 666e6213-0012-4b1c-aaa0-82bec034af45 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
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