Phosfolan
fo-de349192ee09d550
Identity
- Type
- Neutral molecule
- CAS
- 947-02-4
- EC
- 213-423-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
9- (Diethoxyphosphinyl)dithioimidocarbonic acid cyclic ethylene ester
- 2-[Diethoxyphosphinylimino]-1,3-dithiolane
- Cyolane
- Diethyl 1,3-dithiolan-2-ylidenephosphoramidate
- ENT 25,830
- Imidocarbonic acid, phosphonodithio-, cyclic ethylene P,P-diethyl ester
- Phospholan
- Phosphoramidic acid, 1,3-dithiolan-2-ylidene-, diethyl ester
- Phosphoramidic acid, N-1,3-dithiolan-2-ylidene-, diethyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ILBONRFSLATCRE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-[Diethoxyphosphinylimino]-1,3-dithiolane |
| Molecular formula chemrof:molecular_formula | C7H14NO3PS2 |
| Molecular mass chemrof:molecular_mass | 255.301 |
| Monoisotopic mass chemrof:monoisotopic_mass | 255.01527, 255.015272 |
| SMILES string chemrof:smiles_string | CCOP(=O)(N=C1SCCS1)OCC |
Known URLs
12Where 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=947-02-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82145 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.012.203 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1042285 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CHJ98J84AY | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.472B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C19011 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C19011 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:2841 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13689 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q7187417 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Phosfolan | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| b24f82f3-2660-486d-bab1-f2196a743c01 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| d8445e36-34f9-45fa-a3e4-673f4ce25339 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 2849365c-a1ed-407a-94d8-f57ffc711a14 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 3bf1d7f7-cef2-48e3-ad1e-efa780b1b952 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 308ce256-5cff-4ad8-b6c8-7c37a5af13ab | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 5df21440-8e66-488e-9cdf-968f9203675b | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 16d80db4-3479-4a8f-b457-5cc90b6a7fb8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| a294bb54-b260-4de8-ba70-47ca4915d6f4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| ba258dba61fdf7ef7d26349902d5407b4f46911f | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 47739c3d-a4bb-4c20-9f11-32fd7b49e6d8 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| a6b24a21-d899-47c4-b5c7-4ddc3a3a2b72 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 824df705-2bbd-4f12-9e62-56d3a11cda1e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 893d6550-aeec-47b8-bc3f-ee0faeba008f | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 53c2f5da-b8e6-4fce-8091-3c0ab247836f | 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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"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": [
"947-02-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=947-02-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=947-02-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"213-423-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=213-423-2"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_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