3-methyl-dimethyl Para-oxon
fo-fa6e94b5a7db7a47
Identity
- Type
- Neutral molecule
- CAS
- 2255-17-6
- EC
- 800-170-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
17- 3-Methyldimethylparaoxon
- Accothion O-analog
- Dimethyl 3-methyl-4-nitrophenyl phosphate
- Dimethyl 4-nitro-m-tolyl phosphate
- Fenitrooxon
- Fenitrooxone
- Fenitrothion oxon
- Fenitrothion oxygen analog
- m-Cresol, 4-nitro-, dimethyl phosphate
- Metaoxon
- O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphate
- O,O-Dimethyl O-(3-methyl-4-nitrophenyl)phosphorate
- Oxo-Sumithion
- Phosphoric acid, dimethyl 3-methyl-4-nitrophenyl ester
- Phosphoric acid, dimethyl 4-nitro-m-tolyl ester
- Sumioxon
- Sumioxone
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | MJNAIAPNXYJWCT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H12NO6P/c1-7-6-8(4-5-9(7)10(11)12)16-17(13,14-2)15-3/h4-6H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | O,O-Dimethyl O-(3-methyl-4-nitrophenyl) phosphate |
| Molecular formula chemrof:molecular_formula | C9H12NO6P |
| Molecular mass chemrof:molecular_mass | 261.17 |
| Monoisotopic mass chemrof:monoisotopic_mass | 261.040224 |
| SMILES string chemrof:smiles_string | COP(=O)(OC)Oc1ccc([N+](=O)[O-])c(C)c1 |
Known URLs
8Where 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=2255-17-6 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.226.449 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID00177084 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL158718 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0252202 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.378D | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/16738 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q83047397 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4283c68b-f302-4a4a-867b-e5072e1809d9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 517f56de-10c0-4b2a-85aa-7b39b80d37d0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| aa4382d9-db88-457f-b47c-498989cb3928 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| e9ef8d96-ad42-4684-93be-fee79145c00d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a8d10a4c-4e18-46cf-ad0b-6b831a34deb5 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| cd76968a-6b89-46ab-9d52-8b32ef4051e2 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 059a2dbb-b8b8-4184-aa37-19e3b3dc7a32 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 07732e75-4e5b-4942-8e35-062373935b82 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| afe5301f-f6e0-44bb-a775-79f3cee81a7d | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 21ca8e17-d586-43e2-8829-194d6130283d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 55475563-83a9-4b27-8990-5ba989b298e9 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| c25598dd-582f-4901-bd6a-1cb59dcf0f06 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f2535159-e01d-4870-b165-42112b898995 | 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:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2255-17-6"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2255-17-6"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2255-17-6"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"800-170-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=800-170-3"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"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