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Chinalphos (ISO)
6538 · 6538e · KRUSH · SMASH · s-6538 · EKALUX · ECALUX · Savall
Identifikatoren & physikalische Daten
| CAS No. | 13593-03-8 |
|---|---|
| Summenformel | C12H15N2O3PS |
| Durchschnittliche Molmasse | 298,3 g/mol |
| Monoisotopische Masse | 298,05410052 g/mol |
| SMILES | CCOP(=S)(OCC)Oc1cnc2ccccc2n1 |
| InChIKey | JYQUHIFYBATCCY-UHFFFAOYSA-N |
| PubChem CID | 26124 |
| ChEMBL | CHEMBL1893890 |
| ChEBI | CHEBI:8712 |
| EC No. | 237-031-6 |
| DTXSID | DTXSID7024291 |
| Lokaler Name | Chinalphos (ISO) |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 85,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 322 |
| SpringerMaterials Properties | Fusion temperature |
| Pestizide | PesticidesPesticide -> EPA IRISInsecticidesActive substance -> EU Pesticides database: Not approvedPesticide (Quinalphos) -> USDA PDB |
| LogP (Verteilungskoeffizient) | 4.44 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 162.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: Pesticides]165.1 Ų [M+H]+ [CCS Type: TW]169.92 Ų [M+Na]+162.45 Ų [M+H]+ [CCS Type: TWIonization: GC-APCI+] |
| Schmelzpunkt | 31.5°C |
| Siedepunkt | 142 °C |
| Dichte | 1.306±0.06 g/cm3(Predicted) |
| Dampfdruck | 3.46×10-4 Pa (20 °C) |
| Flammpunkt | 2 °C |
| Lagerbedingungen | APPROX 4°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)17.8 mg l-1 (22-23 °C) |
| pKa (Säurekonstante) | -1.05±0.30(Predicted) |
| Aggregatzustand | Crystalline |
| BRN | 754823 |
| Henry-Konstante | 1.1×102 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Stabilität | Hygroscopic, Moisture sensitive |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 |
| InChIKey | JYQUHIFYBATCCY-UHFFFAOYSA-N |
| SMILES | CCOP(=S)(OCC)Oc1cnc2ccccc2n1 |
| CAS Datenbank | 13593-03-8(CAS DataBase Reference) |
| NIST chemische Informationen | Quinalphos(13593-03-8) |
| EPA chemische Informationen | Quinalphos (13593-03-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)H300 (14.6%): Fatal if swallowed [Danger Acute toxicity, oral]P203, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P320, P321, P330, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | 2002/2076 |
| DOT Hazard Classification | QuinalphosMarine pollutant |
| Hazard Classes and Categories | Acute Tox. 2 (14.6%)Acute toxicity - category 3Acute toxicity (Oral) - Category 3Self-reactive substances and mixtures - Type GAcute Tox. 3 * |
| EPA IRIS Information | Quinalphos5 x 10 ^-4 mg/kg-day |
| RAIS Toxicity Values | 0.0005IRIS Current |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 3.20e+014.10e+025.10e+002.00e-014.30e-025.00e-04 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 9.50e+011.20e+031.50e+012.00e-015.00e-04Volatile |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2783 |
| Zollcode | 29339900 |
| RTECS-Nr. |
Anwendungen & Verwendung
Verwenden
Quinalphos is used to control both chewing and sucking insects and mites in a large number of different crops.