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Paclobutrazol
pp333 · (2S,3S)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol · BONZI(R) · duoxiaozuo · 1-tert-Butyl-2-(p-chlorobenzyl)-2-(1,2,4-triazol-1-yl)ethanol · BONZI · Culter · PARLAY
Identifikatoren & physikalische Daten
| CAS No. | 66346-05-2 |
|---|---|
| Summenformel | C15H20ClN3O |
| Durchschnittliche Molmasse | 293,79 g/mol |
| SMILES | CC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1)n1cncn1 |
| InChIKey | RMOGWMIKYWRTKW-KGLIPLIRSA-N |
| PubChem CID | 73671 |
| ChEMBL | CHEMBL1897373 |
| ChEBI | CHEBI:139344 |
| EC No. | 616-379-6 |
| DTXSID | DTXSID2024242 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 300 |
| Pestizide | Pesticide -> EPA IRISPlant Growth RegulatorsActive substance -> EU Pesticides database: ApprovedPesticide (Paclobutrazol) -> USDA PDB |
| Ionization Efficiency | Positive3.792.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 171.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2024242]168.73 Ų [M+H]+ [CCS Type: TW]177.82 Ų [M+Cl]- |
| Schmelzpunkt | 165-166°C |
| Siedepunkt | 460.9±55.0 °C(Predicted) |
| Dichte | 1.22 |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: 10 mg/ml,Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.92±0.20(Predicted) |
| Farbe | White to Almost white |
| Merck | 14,6984 |
| Henry-Konstante | 4.2×104 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| InChIKey | RMOGWMIKYWRTKW-KGLIPLIRSA-N |
| CAS Datenbank | 76738-62-0(CAS DataBase Reference) |
| NIST chemische Informationen | Paclobutrazol(76738-62-0) |
| EPA chemische Informationen | Paclobutrazol (76738-62-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P317, P318, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)DangerH228 (50%): Flammable solid [Danger Flammable solids]P203, P210, P240, P241, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 33/2008Paclobutrazol is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2011/55/EU, Reg. (EU) 2018/155, Reg. (EU) 2023/918, Reg. (EU) 2026/1421, Reg. (EU) No 2018/1266, Reg. (EU) No 540/2011Paclobutrazol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1H-1,2,4-Triazole-1-ethanol, .beta.-[(4-chlorophenyl)methyl]-.alpha.-(1,1-dimethylethyl)-, (R*,R*)-(.+-.)-: Environment tier I assessment |
| Hazard Classes and Categories | Flam. Sol. 1 (50%)Reproductive toxicity - category 2Repr. 2 |
| Zielorgane | Hepatic |
| EPA IRIS Information | PaclobutrazolHepatic1.3 x 10 ^-2 mg/kg-day |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| RAIS Toxicity Values | 0.3OPP0.013IRIS Current |
| EPA Human Health Benchmarks for Pesticides | Paclobutrazol0.32000Children0.11650 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 8.20e+021.10e+042.30e+022.00e+024.60e-011.30e-02 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 2.50e+033.20e+046.80e+022.00e+021.30e-02Volatile |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN1325 4.1/PG 2 |
| Zollcode | 29339900 |
| RTECS-Nr. | XZ4803300 |
| R-Sätze (R) | 22-21/22-11 |
| Gefahrensymbole | Xn,F |
| Sicherheitshinweise (S) | 36 |
| Gefahrenklasse | 4.1 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Beschreibung
Paclobutrazol (PBZ) is a triazole-containing plant growth retardant that is known to inhibit the biosynthesis of gibberellins. It also has antifungal activities. PBZ, which is transported acropetally in plants, can also suppress the synthesis of abscisic acid and induce chilling tolerance in plants. PBZ is typically used to support research on the role of gibberellins in plant biology.
Verwenden
Paclobutrazol is a triazole fungicide used as an plant growth retardant in inhibiting gibberellin biosynthesis.