識別子と物理属性
| CAS No. | 31324-44-4 |
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| 分子式 | C13H12O |
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| 平均分子量 | 184.23 g/mol |
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| 単同位体質量 | 184.088815 g/mol |
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| SMILES | c1ccc(COc2ccccc2)cc1 |
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| InChIKey | BOTNYLSAWDQNEX-UHFFFAOYSA-N |
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| PubChem CID | 70352 |
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| ChEMBL | CHEMBL1796019 |
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| EC No. | 250-571-7 |
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| DTXSID | DTXSID70870813 |
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| 現地名 | メチルフェノキシベンゼン |
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化学・物理的性質
| XLogP | 3.8 |
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| 極性表面積 | 9.2 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 1 |
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| 回転可能結合数 | 3 |
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| 重原子数 | 14 |
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| 形式電荷 | 0 |
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| 複雑度 | 143 |
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| SpringerMaterials Properties | Boiling point |
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安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | Benzene, (phenoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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