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Metribuzin
Metribuzine · METRABUZIN · 4-Amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one · 1,2,4-Triazin-5(4H)-one,4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-(9CI) · ntn70 · LEXONE · salute · SENCOR
Identifikatoren & physikalische Daten
| CAS No. | 21087-64-9 |
|---|---|
| Summenformel | C8H14N4OS |
| Durchschnittliche Molmasse | 214,29 g/mol |
| Monoisotopische Masse | 214,08883207 g/mol |
| SMILES | CSc1nnc(C(C)(C)C)c(=O)n1N |
| InChIKey | FOXFZRUHNHCZPX-UHFFFAOYSA-N |
| PubChem CID | 30479 |
| ChEMBL | CHEMBL1902519 |
| ChEBI | CHEBI:34846 |
| EC No. | 244-209-7 |
| DTXSID | DTXSID6024204 |
| Lokaler Name | Metribuzin |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 96,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 316 |
| SpringerMaterials Properties | Fusion temperature |
| Pestizide | Pesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, TriazineEnvironmental transformation -> Pesticides (parent, predecessor) |
| LogP (Verteilungskoeffizient) | log Kow= 1.71.6 |
| Geruch | Weak characteristic odor |
| Dichte | 1.31 (NIOSH, 2024) - Denser than waterwill sink1.28 @ 20 °C/4 °C1.28 g/cm³ |
| Color/Form | Colorless crytalsWhite crystalline solid |
| Löslichkeit | 0.1 % (NIOSH, 2024)Sol in methanol and ethanolvery slightly soluble in water (1200 ppm).Soluble in ... glycol ether acetate.In dimethylformamide 1780, cyclohexanone 1000, chloroform 850, acetone 820, methanol 450, dichloromethane 340, benzene 220, n-butanol 150, ethanol 190, toluene 87, xylene 90, n-hexane 1 (all in g/l at 20 °C).In water, 1.05X10+3 mg/l @ 20 °CSolubility in water, g/100ml at 0.12 °C:DMSO (Slightly), Methanol (Slightly) |
| Corrosivity | Non-corrosive |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 132 °C @ 2 Pa132 °C(Press: 0.02 Torr) |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/. |
| Schmelzpunkt | 257 °F (NIOSH, 2024)126.2 °C125 °C125°C |
| Brechungsindex | 1.6390 (estimate) |
| Flammpunkt | 2 °C |
| Lagerbedingungen | APPROX 4°C |
| pKa (Säurekonstante) | -0.16±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White |
| Geruch | mild odor |
| BRN | 746650 |
| Henry-Konstante | 8.2×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 |
| InChIKey | FOXFZRUHNHCZPX-UHFFFAOYSA-N |
| SMILES | CSC1=NN=C(C(=O)N1N)C(C)(C)C |
| NIST chemische Informationen | Metribuzin(21087-64-9) |
| EPA chemische Informationen | Metribuzin (21087-64-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 (click each P-code to see the statement)DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P273, P301+P317, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 451/200007/25/EC, Reg. (EU) 2018/917, Reg. (EU) 2019/707, Reg. (EU) 2020/869, Reg. (EU) 2021/745, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) 2024/2806, Reg. (EU) 2024/2806, Reg. (EU) 540/2011Metribuzin: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-3-(methylthio)-: Environment tier I assessment |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:Combustible. |
| Brandpotenzial | Nonflammable |
| Gesundheitsgefahren | Excerpt from NIOSH Pocket Guide for Metribuzin: |
| Gefahrenübersicht | Classified as slightly toxic with an LD50 in rats of 1090 to 2300 mg/kg[EXTOXNET] There are no known health effects in humans after occupational exposure. [ACGIH] For the triazine herbicides, systemic toxicity unlikely unless large amounts are ingestedMay cause irritation[EPA Pesticides, p. 121] |
| Reaktive Gruppe | Amides and Imides |
| EG-Einstufung | Symbol: Xn, NR: 22-50/53S: (2)-60-61 |
| UN-Einstufung | UN Hazard Class: 9UN Pack Group: III |
Anwendungen & Verwendung
Verwenden
Metribuzin is an is an aminotriazinone herbicide used in agriculture for both pre- and post-emergence in crops including soy bean, potatoes, tomatoes and sugar cane. Metribuzin acts by inhibiting phot osynthesis by disrupting photosystem II.