Consensus flow list

Tetrachlorvinphos

fo-861fc8984d25d1fb

Identity

Type
NeutralMolecule
CAS
22248-79-9
EC
244-865-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Tetrachlorvinphos

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

What it is used for

4

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UBCKGWBNUIFUST-YHYXMXQVSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-
Isomeric SMILES string chemrof:isomeric_smiles_string COP(=O)(OC)O/C(=C\Cl)c1cc(Cl)c(Cl)cc1Cl
IUPAC name chemrof:IUPAC_name (1Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate
Molecular formula chemrof:molecular_formula C10H9Cl4O4P
Molecular mass chemrof:molecular_mass 365.964
Monoisotopic mass chemrof:monoisotopic_mass 363.899256, 363.89926
SMILES string chemrof:smiles_string COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl

Known URLs

20

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:1890909 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=22248-79-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35005 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.279 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.772 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1032648 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1452359 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DM33MW89QU enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.299G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14513 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D05929 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14513 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05929 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55059 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C152434 enrich_references.pubchem_identifier_url
ppdb ppdb:625 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5284462 enrich_references.pubchem_compound
vsdb vsdb:625 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27887626 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tetrachlorvinphos enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4cb454-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c35-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2378104e-06a7-45d6-8ce7-a8036fb0493f Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c34-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9c36-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c33-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c31-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c3a-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c32-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c38-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9c3b-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c37-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
4d9a8790-3ddd-11dd-9c39-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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