識別子と物理属性
| CAS No. | 6361-23-5 |
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| 分子式 | C7H4Cl2O |
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| 平均分子量 | 175.01 g/mol |
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| 単同位体質量 | 173.96392011 g/mol |
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| SMILES | O=Cc1cc(Cl)ccc1Cl |
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| InChIKey | BUXHYMZMVMNDMG-UHFFFAOYSA-N |
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| PubChem CID | 80702 |
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| EC No. | 112-096-2 |
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| DTXSID | DTXSID30212992 |
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化学・物理的性質
| XLogP | 2.9 |
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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 | 127 |
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| 沸点 | 282.085±30.00 °C(Press: 760.00 Torr)(predicted) |
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| 密度 | 1.385±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa（酸解離定数） | 10.199±0.10(predicted) |
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安全性と法規制
| GHS 分類 | DangerH314 (15.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
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| 規制情報 | Chemical: Benzaldehyde, 2,5-dichloro- |
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| その他の安全情報 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Skin Corr. 1C (15.2%)Aquatic Acute 1 (100%) |
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