HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Proquinazid
6-iodo-2-propoxy-3-propylquinazolin-4(3H)-one · dpx-kq926 · Proquinazid [iso] · Proquinazid Solution · Proquinazid in Acetonitrile · Proquinazid 100 μg/ml Acetonitrile · Proquinazid 10 μg/mL in Cyclohexane · Proquinazid@100 μg/mL in Acetonitrile
Identifikatoren & physikalische Daten
| CAS No. | 189278-12-4 |
|---|---|
| Summenformel | C14H17IN2O2 |
| Durchschnittliche Molmasse | 372,2 g/mol |
| Monoisotopische Masse | 372,03347578 g/mol |
| SMILES | CCCOc1nc2ccc(I)cc2c(=O)n1CCC |
| InChIKey | FLVBXVXXXMLMOX-UHFFFAOYSA-N |
| PubChem CID | 11057771 |
| ChEBI | CHEBI:83555 |
| EC No. | 606-168-7 |
| DTXSID | DTXSID1058008 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 359 |
| Pestizide | Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticides (parent, predecessor)FungicidesPesticide (Proquinazid) -> USDA PDB |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 169.35 Ų [M+H]+ [CCS Type: TW] |
| Lagerbedingungen | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Slightly) |
| Farbe | White to Off-White |
| Henry-Konstante | 3.3×101 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3 |
| InChIKey | FLVBXVXXXMLMOX-UHFFFAOYSA-N |
| SMILES | CCCOC1=Nc2ccc(I)cc2C(=O)N1CCC |
| EPA chemische Informationen | 4(3H)-Quinazolinone, 6-iodo-2-propoxy-3-propyl- (189278-12-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)H351 (69.8%): Suspected of causing cancer [Warning Carcinogenicity] |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 396/2005 (amended)Proquinazid is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2010/25/EU, Reg. (EU) 2017/2069, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) 2026/372 , Reg. (EU) No 540/2011 |
| Hazard Classes and Categories | Carc. 2 (69.8%)Carcinogenicity - category 2 |
| RAIS Toxicity Values | 0.05OPP0.004 |
| EPA Human Health Benchmarks for Pesticides | Proquinazid0.05300Children0.00420 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3077 9 / PGIII |
| R-Sätze (R) | 50/53 |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 60-61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Carc. 2 |
Anwendungen & Verwendung
Verwenden
6-Iodo-2-propoxy-3-propylquinazolin-4(3H)-one is a fungicidal agent. Pesticide.