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Terbufos sulfone
TERBUFOS-SULFONE · TERBUFOSSULPHONE · *Sudan Impurity 31 · TERBUFOS-SULFONE PESTANAL · C17270400 Terbufos-sulfone · terbufos sulfone in Acetone · Terbufos sulfone in Acetonitrile · Terbufos sulfone Solution, 100ppm
Identifikatoren & physikalische Daten
| CAS No. | 56070-16-7 |
|---|---|
| Summenformel | C9H21O4PS3 |
| Durchschnittliche Molmasse | 320,4 g/mol |
| Monoisotopische Masse | 320,03395967 g/mol |
| SMILES | CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C |
| InChIKey | DWZSTEUTHNUVQD-UHFFFAOYSA-N |
| PubChem CID | 41718 |
| ChEMBL | CHEMBL3560248 |
| EC No. | 634-681-6 |
| DTXSID | DTXSID1042443 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 118 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 357 |
| Kovats Retention Index | 20022044.2 |
| Collision Cross Section | 171.3 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1042443]172.88 Ų [M+H]+ [CCS Type: TW] |
| Siedepunkt | 411.5±47.0 °C(Predicted) |
| Dichte | 1.2000 (rough estimate) |
| Brechungsindex | 1.5210 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 407.8mg/L(18.5 ºC) |
| BRN | 2279368 |
| InChI | 1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3 |
| InChIKey | DWZSTEUTHNUVQD-UHFFFAOYSA-N |
| SMILES | CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C |
| EPA chemische Informationen | Terbufos sulfone (56070-16-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, 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. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (100%)Acute Tox. 1 (100%) |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | Terbufos sulfonePesticide degradation productSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 1 |
| R-Sätze (R) | 26/27/28 |
| Gefahrensymbole | T+ |
| Sicherheitshinweise (S) | 36/37/39-45 |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrenklasse | Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral |
Anwendungen & Verwendung
Verwenden
Terbufos Sulfone is used in the inhibition of nicosulfuron metabolite by terbufos metabolites in maize.