标识与物理属性
| CAS No. | 5043-19-6 |
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| 分子式 | C11H9NO2 |
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| 平均分子量 | 187.19 g/mol |
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| 单同位素质量 | 187.06332853 g/mol |
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| SMILES | Nc1cccc2ccc(C(=O)O)cc12 |
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| InChIKey | PBWULNOSRHQTHZ-UHFFFAOYSA-N |
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| PubChem CID | 13440887 |
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| EC No. | 895-223-0 |
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| DTXSID | DTXSID90540925 |
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| 中文名 | 8-氨基-2-萘甲酸 |
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化学与物理性质
| XLogP | 2.1 |
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| 极性表面积 | 63.3 |
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| 氢键供体 | 2 |
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| 氢键受体 | 3 |
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| 可旋转键 | 1 |
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| 重原子 | 14 |
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| 形式电荷 | 0 |
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| 复杂度 | 229 |
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安全与法规
| GHS 分类 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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