HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benalaxyl
m9834 · GALBEN · TF 3675 · Benalaxyi · BENALAXYL · farmoplant · BENALAXYL 0.92 · Benalaxyl Standard
Identifikatoren & physikalische Daten
| CAS No. | 71626-11-4 |
|---|---|
| Summenformel | C20H23NO3 |
| Durchschnittliche Molmasse | 325,4 g/mol |
| Monoisotopische Masse | 325,1677936 g/mol |
| SMILES | COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C |
| InChIKey | CJPQIRJHIZUAQP-UHFFFAOYSA-N |
| PubChem CID | 51369 |
| ChEMBL | CHEMBL2286691 |
| ChEBI | CHEBI:82777 |
| EC No. | 275-728-7 |
| DTXSID | DTXSID3041619 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 421 |
| Pestizide | FungicidesActive substance -> EU Pesticides database: Not approvedPesticide (Benalaxyl) -> USDA PDB |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Ionization Efficiency | Positive3.382.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 171.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID3041619] |
| Schmelzpunkt | 78-80°C |
| Siedepunkt | 463.59°C (rough estimate) |
| Dichte | 1.2700 |
| Dampfdruck | 6.6 x 10-5 Pa (25 °C) |
| Brechungsindex | 1.5614 (estimate) |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)28.6 mg l-1 (20 °C) |
| pKa (Säurekonstante) | 1.52±0.50(Predicted) |
| Merck | 13,1028 |
| BRN | 3001587 |
| Henry-Konstante | 8.5×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3 |
| InChIKey | CJPQIRJHIZUAQP-UHFFFAOYSA-N |
| SMILES | COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C |
| NIST chemische Informationen | Benalaxyl(71626-11-4) |
| EPA chemische Informationen | Benalaxyl (71626-11-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)H302 (21.9%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Commission Regulation No 844/201204/58/EC, Reg. (EU) 2017/841, Reg. (EU) 2018/917, Reg. (EU) 2019/707, Reg. (EU) 2020/1280, Reg. (EU) 2020/869, Reg. (EU) No 540/2011Benalaxyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (21.9%)Hazardous to the aquatic environment (acute) - category 1 |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3077 |
| Zollcode | 29242990 |
| RTECS-Nr. | AY5993200 |
| R-Sätze (R) | 50/53 |
| Toxizität | LD50 in rats (mg/kg): 4200 orally1100 i.p.LC50 (96 hr) in rainbow trout: 3.75 mg/l (Bergamaschi) |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 60-61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Verwenden
Benalaxyl is used for the control of Oomycetes on a wide range of crops, fruit, flowers, ornamentals and turf.