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HCID 285736生成日期：2026年10月23日
2-氯-3,4-二氨基吡啶
2-氯吡啶-3,4-二胺 · 2-氯-3,4-吡啶二胺 · 2-氯-3,4-二氨基吡啶 · 3,4-二氨基-2-氯吡啶 · 2-氯-3,4-二氨基吡啶 1G · NSC 143160 · oropyridine-3,4-diamine · 2-Chloropyridin-3,4-diamine
https://huagongshe.com/zh-CN/chemical/285736
标识与物理属性
| CAS No. | 39217-08-8 |
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| 分子式 | C5H6ClN3 |
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| 平均分子量 | 143.57 g/mol |
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| 单同位素质量 | 143.0250249 g/mol |
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| SMILES | Nc1ccnc(Cl)c1N |
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| InChIKey | PWOIYBVEDIFBEO-UHFFFAOYSA-N |
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| PubChem CID | 285736 |
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| EC No. | 686-011-7 |
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| DTXSID | DTXSID90301412 |
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| 中文名 | 2-氯-3,4-二氨基吡啶 |
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化学与物理性质
| XLogP | 0.5 |
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| 极性表面积 | 64.9 |
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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 | 0 |
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| 重原子 | 9 |
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| 形式电荷 | 0 |
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| 复杂度 | 98 |
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| 熔点 | 158-163℃ |
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| 沸点 | 381.3±37.0 °C(Predicted) |
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| 密度 | 1.447±0.06 g/cm3(Predicted) |
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| 储存条件 | under inert gas (nitrogen or Argon) at 2–8 °C |
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| 溶解性 | soluble in Methanol |
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| 形态 | powder to crystal |
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| pKa（酸度系数） | 4.79±0.42(Predicted) |
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| 颜色 | Light yellow to Brown to Dark green |
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| InChI | 1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9) |
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| InChIKey | PWOIYBVEDIFBEO-UHFFFAOYSA-N |
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| SMILES | Nc1ccnc(Cl)c1N |
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安全与法规
| GHS 分类 | DangerH301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]H317 (97.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 3 (97.7%)Skin Sens. 1 (97.7%)Eye Irrit. 2A (100%) |
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| 水危害等级（WGK） | 3 |
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| 包装类别 | Ⅲ |
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| 危险类别 | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1 |
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| 储存类别 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| 安全说明（S） | 26-37-36/37-24/25-36/37/39 |
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| 海关编码 | 29333990 |
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| 危险品标志 | Xi,Xn |
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| 危险类别码（R） | 36/37/38-43-36-22 |
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| 运输编号（UN） | 2811 |
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