識別子と物理属性
| CAS No. | 13601-94-0 |
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| 分子式 | C3H4Cl3NO |
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| 平均分子量 | 176.42 g/mol |
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| 単同位体質量 | 174.935847 g/mol |
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| SMILES | NC(=O)C(Cl)(Cl)CCl |
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| InChIKey | NAXPJDCDIPVXNE-UHFFFAOYSA-N |
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| PubChem CID | 83608 |
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| EC No. | 237-084-5 |
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| DTXSID | DTXSID00929222 |
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化学・物理的性質
| XLogP | 0.9 |
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| 極性表面積 | 43.1 |
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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 | 1 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 8 |
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| 形式電荷 | 0 |
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| 複雑度 | 103 |
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安全性と法規制
| GHS 分類 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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