識別子と物理属性
| CAS No. | 1341-24-8 |
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| 分子式 | C8H7ClO |
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| 平均分子量 | 154.59 g/mol |
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| 単同位体質量 | 154.01854252 g/mol |
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| SMILES | CC(=O)c1cccc(Cl)c1 |
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| InChIKey | UUWJBXKHMMQDED-UHFFFAOYSA-N |
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| PubChem CID | 14933 |
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| EC No. | 202-721-8 |
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| DTXSID | DTXSID8059182 |
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| 現地名 | クロロアセトフェノン |
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化学・物理的性質
| XLogP | 2.5 |
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| 極性表面積 | 17.1 |
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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 | 1 |
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| 重原子数 | 10 |
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| 形式電荷 | 0 |
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| 複雑度 | 133 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| LogP（分配係数） | 2.43 |
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安全性と法規制
| GHS 分類 | WarningH302 (17.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| 規制情報 | 3'-Chloroacetophenone: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 4 (17.3%) |
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