パクロブトラゾール
（２ＲＳ，３ＲＳ）－１－（４－クロロフェニル）－４，４－ジメチル－２－（１Ｈ－１，２，４－トリアゾール－１－イル）ペンタン－３－オール · パクロブトラゾール標準品 · パクロブトラゾール標準液 · パクロブトラゾール · （２ＲＳ，３ＲＳ）１（４クロロフェニル）４，４ジメチル２（１Ｈ１，２，４トリアゾル１イル）ペンタン３オル · α-tert-ブチル-β-(4-クロロベンジル)-1H-1,2,4-トリアゾール-1-エタノール · CS_N-12811-500MG_パクロブトラゾール · ボンジ STANDARD
識別子と物理属性
| CAS No. | 66346-05-2 |
|---|---|
| 分子式 | C15H20ClN3O |
| 平均分子量 | 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 |
| 現地名 | パクロブトラゾール |
化学・物理的性質
| XLogP | 3.2 |
|---|---|
| 極性表面積 | 50.9 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 5 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 300 |
| 農薬 | 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]- |
| 融点 | 165-166°C |
| 沸点 | 460.9±55.0 °C(Predicted) |
| 密度 | 1.22 |
| 貯蔵条件 | 0-6°C |
| 溶解度 | DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: 10 mg/ml,Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml |
| 外観・状態 | Solid |
| pKa（酸解離定数） | 13.92±0.20(Predicted) |
| 色 | White to Almost white |
| Merck | 14,6984 |
| ヘンリー定数 | 4.2×104 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| InChIKey | RMOGWMIKYWRTKW-KGLIPLIRSA-N |
| CAS データベース | 76738-62-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Paclobutrazol(76738-62-0) |
| EPAの化学物質情報 | Paclobutrazol (76738-62-0) |
安全性と法規制
| GHS 分類 | 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) |
|---|---|
| 規制情報 | 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 |
| その他の安全情報 | 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 |
| 標的器官 | 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 |
用途
説明
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.
使用
Paclobutrazol is a triazole fungicide used as an plant growth retardant in inhibiting gibberellin biosynthesis.