Diquat
fo-e775019149d10472
Identity
- Type
- Molecular cation
- CAS
- 2764-72-9
- EC
- 220-433-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 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 |
|---|---|---|
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
12- 1,1'-Ethylene-2,2'-bipyridyldylium ion
- 1,1'-Ethylene-2,2'-bipyridylium ion
- 1,1′-Ethylene-2,2′-bipyridinium
- 2,2′-Bipyridinium, 1,1′-(1,2-ethanediyl)-
- 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium
- 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediylium
- 6,7-Dihydrodipyrido[1,2-a:2′,1′-c]pyrazinediium
- 9,10-Dihydro-8a,10a-diazoniaphenanthrene
- Dipyrido[1,2-a:2′,1′-c]pyrazidiinium, 6,7-dihydro-
- Dipyrido[1,2-a:2′,1′-c]pyrazinediium, 6,7-dihydro-
- Diquat dication
- MeSH ID: D004178
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 2 |
| InChI2D key string chemrof:inchi2d_key_string | SYJFEGQWDCRVNX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2 |
| IUPAC name chemrof:IUPAC_name | 6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium |
| Molecular formula chemrof:molecular_formula | C12H12N2, C12H12N2+2 |
| Molecular mass chemrof:molecular_mass | 184.242 |
| Monoisotopic mass chemrof:monoisotopic_mass | 184.09895, 184.098951 |
| SMILES string chemrof:smiles_string | c1cc[n+]2c(c1)-c1cccc[n+]1CC2 |
Known URLs
17Where 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=2764-72-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64163 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.018.576 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6034554 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1625720 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A9A615U4MP | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0303284 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.415F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18577 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18577 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=63198 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:1541 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6795 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2781 | enrich_references.pubchem_identifier_url |
| reaxys | reaxys:3670526 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q2285491 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Diquat | enrich_references.chebi_xrefs |
Elementary flows
15| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 7f98d38a-b68a-420c-89bc-10b61644b566 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| e5e14cc8-e498-4270-9456-8147a46e4ab1 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| f87b0d1e-8680-4962-9061-312d5934f411 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d9674b7b-f582-4228-8bd6-054c60cb8cf0 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| cb7cb7da-151f-48df-9759-32c28b01c91e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 230e4a01-09d8-4302-a7e6-d4e93676df6a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| bcd4452d-c060-4ccb-80f6-c55d2db701e6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 25b27980-7053-440d-b44f-0c413faaaf99 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 5a6370621e798a347a8382995caf851011c3477f | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 4aec0269-860a-4526-ba07-c209a0b0960d | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 0013fa7f-3ecf-48bb-9da2-1bcb36c7f3a6 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 849d0c4c-32f7-4da4-803a-26bc8ce56b59 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 1ff29af78f5429448d67817cef2557f393ae5c02 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| bfb58d44-a9f6-41ae-b0db-3fb6026c6af8 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8170f74f-6b93-4f91-aa53-b21e600561b4 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (59 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