Consensus flow list

Pcb-77 (3,3',4,4'-tetrachlorobiphenyl)

fo-5790e759864f5cfc

Identity

Type
Neutral molecule
CAS
32598-13-3
EC
634-804-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pcb-77 (3,3',4,4'-tetrachlorobiphenyl)

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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UQMGJOKDKOLIDP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
IUPAC name chemrof:IUPAC_name 3,3',4,4'-tetrachloro-1,1'-biphenyl
Molecular formula chemrof:molecular_formula C12H6Cl4
Molecular mass chemrof:molecular_mass 291.992
Monoisotopic mass chemrof:monoisotopic_mass 289.92236, 289.922361
SMILES string chemrof:smiles_string Clc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cl

Known URLs

16

Where 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
beilstein beilstein:2051251 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=32598-13-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:1367 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.162.752 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022514 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL344161 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y2I6546TMI enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246009 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J70.045B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11057 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11057 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52855 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/APYDYT6V1QN4 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/36187 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=105034 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26841257 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4f1c0783-0387-4dee-a91b-a7f5220a3c46 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1a3de05b-71ab-4ac9-8869-1c398b4515f6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
39e1ca6c-4938-46bf-9afd-e703fc6866da Environmental → Air → Indoor EF 3.1 kg 2
db304b24-e4c6-42dd-8d6d-895d2520b03c Environmental → Air → Long-term EF 3.1 kg 0
e18a29ce-3e23-4749-b3a3-28fde7d31804 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b1aa372c-78f8-4973-8875-5fe1544128b4 Environmental → Air → Unknown EF 3.1 kg 2
be581d6a-8d48-4d9e-bc42-61b494adfd45 Environmental → Ground → Agricultural EF 3.1 kg 2
4fc74853-844a-47db-83ca-0f34f5ed4cc8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a119a9e5-5282-493c-bdab-48015b4b3d9b Environmental → Ground → Unknown EF 3.1 kg 2
e6d69dc9-3c9b-47da-9b33-b0fce9732a97 Environmental → Water → Long-term EF 3.1 kg 0
2d6e18a6-d88b-4665-9314-8d04be4930de Environmental → Water → Ocean EF 3.1 kg 2
45c20e0b-cd0a-45b1-bed0-8b3ece85d77f Environmental → Water → Surface water EF 3.1 kg 2
59bcc831-5fcd-4342-a286-fd09455e8324 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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