HuagongsheHuagongshe Chemistry Print Report · For research reference only
Paraoxon methyl
PARAOXON-METHYL · dimethyl-4-nitrophenylphosphate · bay11678 · BAY 11678 · Methyl-E 600 · methyl-e-600 · Paraoxon-Methy · METHYL PARAOXON
Identifiers & Physical Properties
| CAS No. | 950-35-6 |
|---|---|
| Molecular formula | C8H10NO6P |
| Average molar mass | 247.14 g/mol |
| Monoisotopic mass | 247.02457404 g/mol |
| SMILES | COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1 |
| InChIKey | BAFQDKPJKOLXFZ-UHFFFAOYSA-N |
| PubChem CID | 13708 |
| ChEMBL | CHEMBL26115 |
| ChEBI | CHEBI:165199 |
| EC No. | 625-061-6 |
| DTXSID | DTXSID5037571 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 90.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 275 |
| Pesticides | Pesticide degradation product |
| LogP (partition coefficient) | 1.33 |
| Human Drugs | Pharmaceuticals |
| Melting point | 0-4 °C |
| Boiling point | 164 °C(Press: 10 Torr) |
| Density | 1.383±0.06 g/cm3(Predicted) |
| Refractive index | n20/D 1.523 |
| Flash point | 100 °C |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Color | Pale Yellow to Light Yellow |
| BRN | 1884904 |
| Henry's law constant | 1.1×104 mol/(m3Pa) at 25℃, Woodrow et al. (1990) |
| Major applications | agricultureenvironmental |
| InChI | 1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3 |
| InChIKey | BAFQDKPJKOLXFZ-UHFFFAOYSA-N |
| SMILES | COP(=O)(OC)Oc1ccc(cc1)[N+]([O-])=O |
| EWG's Food Scores | 1 |
| FDA UNII | UE1A2XL95H |
| EPA Substance Registry System | Methyl paraoxon (950-35-6) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS06,GHS08,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H300+H310+H330-H372-H410 |
| GHS precautionary statements | P262-P264-P273-P280-P302+P352+P310-P304+P340+P310 |
| Target organs | Nervous system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | T+ |
| Risk statements (R) | 28 |
| Safety statements (S) | 28-36/37-45 |
| UN transport number | 3018 |
| Water hazard class (WGK) | 3 |
| RTECS number | TC5250000 |
| Hazard class | 6.1(a)Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 OralAquatic Acute 1Aquatic Chronic 1STOT RE 1 |
| Packing group | I |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.DangerH300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 1 (97.6%) |
| Acute Exposure Guideline Levels (AEGLs) | The compound is currently at the Holding Status AEGLs which have been reviewed by the NAC/AEGL Committee and are on hold due to insufficient data to develop AEGL values. |
| AEGLs Notes | AEGLs Status: Holding |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Paraoxon-methylPesticide degradation productSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | TC5250000 |
| UN transport number | 3018 |
| Risk statements (R) | 28 |
| Signal word | Danger |
| GHS pictogram | GHS06,GHS08,GHS09 |
| Hazard symbols | T+ |
| Safety statements (S) | 28-36/37-45 |
| Hazard class | 6.1(a)Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 OralAquatic Acute 1Aquatic Chronic 1STOT RE 1 |
| Storage class |
Applications & Uses
Uses
Methylparaoxon is used in esterase detoxication of acetylcholinesterase inhibitor pesticides using human liver samples in vitro.