Consensus flow list

Identity

Type
NeutralMolecule
CAS
789-02-6
EC
212-332-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,2,2,o,p'-pentachloroethylidenebisbenzene

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CVUGPAFCQJIYDT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
IUPAC name chemrof:IUPAC_name 1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
Molecular formula chemrof:molecular_formula C14H9Cl5
Molecular mass chemrof:molecular_mass 354.491
Monoisotopic mass chemrof:monoisotopic_mass 351.914689, 351.91469
SMILES string chemrof:smiles_string Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=789-02-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34027 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.211 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6022345 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=33446 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=57644 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL364900 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D4K93Z1TBH enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0242196 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.329D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14187 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14187 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67629 enrich_references.pubchem_identifier_url
ppdb ppdb:3141 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13089 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27115760 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f1871a9e-476a-4ae4-8b30-470ddc95cb13 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ce8a3795-3b08-4e1e-bcb7-e218958c5ab2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
51601956-cc3e-4cde-a621-70939ddcafd8 Environmental → Air → Indoor EF 3.1 kg 2
7d90c43c-4ef2-4c0f-8b90-d0ea78a842f2 Environmental → Air → Long-term EF 3.1 kg 0
47d217b5-af38-4769-a5ff-38dcfecff71e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9350dbb7-b00d-417a-8a69-2890a3df0672 Environmental → Air → Unknown EF 3.1 kg 2
d8533b9c-75af-4341-be6a-25389646e383 Environmental → Ground → Agricultural EF 3.1 kg 2
6b6641bb-d578-41d4-9d89-afc562b841ab Environmental → Ground → Non-agricultural EF 3.1 kg 2
9878fca55ef5112ab7c53a1329fa2dd813e56a60 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
343cf4bd-374c-4fb3-9541-901e52ca0d4e Environmental → Ground → Unknown EF 3.1 kg 2
2436ec09-ef87-4183-ba65-be7236ecd313 Environmental → Water → Long-term EF 3.1 kg 0
d9cc023d-7a2e-4f8e-9964-7bb6649421bf Environmental → Water → Ocean EF 3.1 kg 2
014edee1-3306-4770-97fa-21d389ad6da1 Environmental → Water → Surface water EF 3.1 kg 2
06a1dcdc-4a58-4931-9136-eec7321c7d84 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-16dbe2ad7747d3a4",
  "prefLabel": [
    {
      "@value": "2,2,2,o,p'-pentachloroethylidenebisbenzene",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane",
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    },
    {
      "@value": "(±)-o,p′-DDT",
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    {
      "@value": "1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane",
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      }
    },
    {
      "@value": "1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane",
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    },
    {
      "@value": "1-Chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",
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    },
    {
      "@value": "2,4′-DDT",
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      }
    },
    {
      "@value": "2,4′-Dichlorodiphenyltrichloroethane",
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    {
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    },
    {
      "@value": "Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-",
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    },
    {
      "@value": "Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-",
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    },
    {
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    },
    {
      "@value": "o,p′-Chlorophenothane",
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      }
    },
    {
      "@value": "o,p′-DDT",
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    },
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      "@value": "o,p′-Dichlorodiphenyltrichloroethane",
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  "properties": {
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