識別子と物理属性
| CAS No. | 6265-13-0 |
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| 分子式 | C8H11NO |
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| 平均分子量 | 137.18 g/mol |
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| 単同位体質量 | 137.08406397 g/mol |
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| SMILES | CNc1cc(O)ccc1C |
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| InChIKey | QQOKUOJOGXTCMN-UHFFFAOYSA-N |
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| PubChem CID | 22639 |
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| DTXSID | DTXSID3074866 |
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化学・物理的性質
| XLogP | 1.9 |
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| 極性表面積 | 32.3 |
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| 水素結合供与体数 | 2 |
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| 水素結合受容体数 | 2 |
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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 | 105 |
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| Physical Description | 3-methylamino-4-methylphenol is a crystalline solid. |
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| 沸点 | 281.4±28.0 °C(Predicted) |
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| 密度 | 1.109±0.06 g/cm3(Predicted) |
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| 貯蔵条件 | 2-8°C, protect from light, stored under nitrogen |
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| pKa(酸解離定数) | 10.44±0.18(Predicted) |
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| EPAの化学物質情報 | 3-(Methylamino)-4-methylphenol (6265-13-0) |
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安全性と法規制
| 火災危険 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
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| 反応性グループ | Amines, Phosphines, and Pyridines |
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| Reactivity Profile | Phenols, such as 3-METHYLAMINO-4-METHYLPHENOL, do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. |
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| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
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| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
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| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
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| 非火災時の漏出対応 | STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992) |
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| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
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| 注意喚起語 | 警告 |
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| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315 |
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