Ohric
fo-b74e9f2f7e2127d4
Identity
- Type
- Neutral molecule
- CAS
- 24096-53-5
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
7- 1-(3,5-Dichlorophenyl)-2,5-pyrrolidinedione
- 2,5-Pyrrolidinedione, 1-(3,5-dichlorophenyl)-
- Dimetachlone
- Dimethachlon
- N-(3,5-Dichlorophenyl)succinimide
- NDPS
- Succinimide, N-(3,5-dichlorophenyl)-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CFZLNRGUBAVQNO-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2 |
| IUPAC name chemrof:IUPAC_name | N-(3,5-Dichlorophenyl)succinimide |
| Molecular formula chemrof:molecular_formula | C10H7Cl2NO2 |
| Molecular mass chemrof:molecular_mass | 244.077 |
| Monoisotopic mass chemrof:monoisotopic_mass | 242.98538, 242.985384 |
| SMILES string chemrof:smiles_string | O=C1CCC(=O)N1c1cc(Cl)cc(Cl)c1 |
Known URLs
14Where 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=24096-53-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7087 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.283.087 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID70178821 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL561915 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4GNU6A4VQ6 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0251374 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.295I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C10987 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C10987 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67977 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:3023 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/90363 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27107439 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4d6ea6b7-81b8-4487-beda-36e2bebd9dd5 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 238586e4-c1ad-4803-9636-e3eb40110bf4 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d8856c75-3eda-46ed-b173-fa41d6bdced0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| a6bee596-4f6f-4e79-89f7-0b8cace28ac1 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9169ff15-5715-4688-b288-8d2537f12f23 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 56463917-914b-4f3e-ab2d-27e34a45a972 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8c8bad55-8d0d-4044-9c82-6e1bbabe87bd | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a1ea0839-3e4a-41cc-9a0d-421e8edc0a7f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 6102f98d97dba7ba5597f3e97d536038b6fe16aa | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 3ee920c7-85db-4323-adad-b81cd7a5c6b5 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 71abf59f-21d4-45f1-bb57-52d56e8f8bdb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 220c3e14-b302-483a-b7db-76961d9e0921 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 8c7eb07a-7079-4ccc-b043-e73477f98928 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6a9e74b1-e84e-45ab-9d3c-61dd1a6575c7 | 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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"types": [
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],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"24096-53-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=24096-53-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=24096-53-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}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