Methyl Paraoxon
fo-3e13de3c558d4208
Identity
- Type
- Neutral molecule
- CAS
- 950-35-6
- EC
- 625-061-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
15- 4-Nitrophenyl dimethylphosphate
- Desmethylnitrophos
- dimethyl (4-nitrophenyl) phosphate
- Dimethyl 4-nitrophenyl phosphate
- Dimethyl p-nitrophenyl phosphate
- Dimethyl paraoxon
- Methyl-E 600
- Methyl-paraoxon
- Methylparaoxon
- Methylparathion oxon
- p-Nitrophenyl dimethyl phosphate
- Paraoxon methyl
- Phenol, p-nitro-, dimethyl phosphate
- Phosphoric acid, dimethyl 4-nitrophenyl ester
- Phosphoric acid, dimethyl p-nitrophenyl ester
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BAFQDKPJKOLXFZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 |
| IUPAC name chemrof:IUPAC_name | dimethyl (4-nitrophenyl) phosphate |
| Molecular formula chemrof:molecular_formula | C8H10NO6P |
| Molecular mass chemrof:molecular_mass | 247.143 |
| Monoisotopic mass chemrof:monoisotopic_mass | 247.02457, 247.024574 |
| SMILES string chemrof:smiles_string | COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1 |
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=950-35-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:165199 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.153.592 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.13114.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5037571 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL26115 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UE1A2XL95H | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0254657 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.185D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=71514 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/13708 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27291041 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 05be3261-de31-41e2-81a5-34f3d12585a2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5b7c81a4-d758-4e30-be62-80c8ea79292d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| b8630fdf-a304-4b45-8589-ded56870e896 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 7a3e8ba9-85c5-42b8-b110-bb6b4b83de53 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 5180632c-f21d-4893-ab16-c139fb3a6461 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d0396fea-ba95-4bbd-86d0-a40c6d46671a | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5ae947b6-aabc-4017-8983-e474c767ae81 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| f38fe4bd-09ee-49cd-a2a5-7f8caaf2dffa | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| abd4d362-8c7d-4adc-b11c-0b00367232df | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 12029e01-9e08-40b1-ba8b-9de6cc021f13 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 21f54471-1473-4922-b2d7-d9adcd009b41 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 8a93cfce-4352-4424-9fa1-3e60f7c6721e | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| a8ea613b-7023-494a-8f16-d0d8cd37cca2 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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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