識別子と物理属性
| CAS No. | 76578-12-6 |
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| 分子式 | C17H13ClN2O4 |
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| 平均分子量 | 344.7 g/mol |
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| 単同位体質量 | 344.05638458 g/mol |
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| SMILES | CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O |
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| InChIKey | ABOOPXYCKNFDNJ-UHFFFAOYSA-N |
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| PubChem CID | 178795 |
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| ChEMBL | CHEMBL51789 |
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| ChEBI | CHEBI:137509 |
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| EC No. | 616-350-8 |
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| DTXSID | DTXSID60273935 |
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| 現地名 | キザロホップ標準品 |
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化学・物理的性質
| XLogP | 3.6 |
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| 極性表面積 | 81.5 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 6 |
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| 回転可能結合数 | 5 |
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| 重原子数 | 24 |
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| 形式電荷 | 0 |
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| 複雑度 | 431 |
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| 農薬 | HerbicidesActive substance -> EU Pesticides database: Not approvedEnvironmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide (Quizalofop) -> USDA PDB |
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| 沸点 | 533.3±50.0 °C(Predicted) |
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| 密度 | 1.409 |
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| 貯蔵条件 | 0-6°C |
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| 溶解度 | Chloroform (Slightly), DMSO (Slightly) |
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| pKa（酸解離定数） | 3.11±0.10(Predicted) |
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| 外観・状態 | Solid |
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| 色 | Off-White to Pale Yellow |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| 規制情報 | Regulation (EC) No 396/2005 (amended)2002/2076Quizalofop: 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. |
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| DOT Hazard Classification | QuizalofopSevere marine pollutant |
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| Hazard Classes and Categories | Not Classified |
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| 輸送番号（UN） | UN3077 9/PG 3 |
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| 安全措置（S） | 22-24/25 |
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