Consensus flow list

Identity

Type
NeutralMolecule
CAS
27355-22-2
EC
608-088-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Tetrachlorophthalide

What it is used for

3

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal 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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NMWKWBPNKPGATC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2
IUPAC name chemrof:IUPAC_name Tetrachlorophthalide
Molecular formula chemrof:molecular_formula C8H2Cl4O2
Molecular mass chemrof:molecular_mass 271.914
Monoisotopic mass chemrof:monoisotopic_mass 269.88089
SMILES string chemrof:smiles_string O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21

Known URLs

22

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=27355-22-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:47617 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.119.493 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2058045 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB03302 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL357452 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/44IHE2M2T4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.881C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18611 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18611 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147829 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PHH enrich_references.chebi_xrefs
pesticides pesticides:phthalide enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL357452 enrich_references.pubchem_identifier_url
ppdb ppdb:1212 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/33791 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/18670728 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18966786 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19218402 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23313696 enrich_references.chebi_xrefs
reaxys reaxys:182477 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27094229 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3816004b-7037-4073-a4e2-b5b3620ab6dc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
90b84d4d-1777-4e4e-a54b-7bfb4833755b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8548a578-165b-4000-9506-9e14cf052cc0 Environmental → Air → Indoor EF 3.1 kg 2
66ed2c3e-0f33-456a-a5b6-2f8e95fb66be Environmental → Air → Long-term EF 3.1 kg 0
bdc60e36-79b3-4485-9dca-06604695e410 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
30f0f372-4017-4eea-815c-ceaee81a3935 Environmental → Air → Unknown EF 3.1 kg 2
5ef10e80-35cb-4cb9-8dfe-34676d329948 Environmental → Ground → Agricultural EF 3.1 kg 2
46838ffc-eedc-428d-ab00-7e903d40d918 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e8f139e3-4dab-4e9a-a793-b39229ae1dfb Environmental → Ground → Unknown EF 3.1 kg 2
bd82bd97-f25d-45b8-993d-ecefff039f95 Environmental → Water → Long-term EF 3.1 kg 0
228d9f67-c503-4bb8-947d-c824b317e1b2 Environmental → Water → Ocean EF 3.1 kg 2
8ce37a56-8cbf-45b9-946b-1c685206fd6b Environmental → Water → Surface water EF 3.1 kg 2
fd7cf582-b3dd-4115-86c2-7f60caa9ee8a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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