2,2,2,o,p'-pentachloroethylidenebisbenzene
fo-16dbe2ad7747d3a4
Identity
- Type
- Neutral molecule
- CAS
- 789-02-6
- EC
- 212-332-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
16- (±)-1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane
- (±)-o,p′-DDT
- 1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
- 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2,2-trichloroethane
- 1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2,2-trichloroethane
- 1-Chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
- 2,4′-DDT
- 2,4′-Dichlorodiphenyltrichloroethane
- 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane
- 2-o-Chlorophenyl-2-p-chlorophenyl-1,1,1-trichloroethane
- Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]-
- Ethane, 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-
- o,p'-DDT
- o,p′-Chlorophenothane
- o,p′-DDT
- o,p′-Dichlorodiphenyltrichloroethane
Properties
| Property | Value |
|---|---|
| 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
16Where 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 | 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)
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