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3-(ジメチルアミノ)フェノール
3-(ジメチルアミノ)フェノール · (3-ヒドロキシフェニル)ジメチルアミン · m-(ジメチルアミノ)フェノール · m-(N,N-ジメチルアミノ)フェノール · 3-ジメチルアミノフェノール · N,N-ジメチル-3-アミノフェノール · 3‐ジメチルアミノフェノール · M-ジメチルアミノフェノール
識別子と物理属性
| CAS No. | 99-07-0 |
|---|---|
| 分子式 | C8H11NO |
| 平均分子量 | 137.18 g/mol |
| 単同位体質量 | 137.08406397 g/mol |
| SMILES | CN(C)c1cccc(O)c1 |
| InChIKey | MESJRHHDBDCQTH-UHFFFAOYSA-N |
| PubChem CID | 7421 |
| ChEMBL | CHEMBL225257 |
| EC No. | 202-727-0 |
| DTXSID | DTXSID0025101 |
| 現地名 | 3-(ジメチルアミノ)フェノール |
化学・物理的性質
| XLogP | 1.6 |
|---|---|
| 極性表面積 | 23.5 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 103 |
| LogP（分配係数） | 1.56 |
| 溶解度 | less than 0.1 mg/mL at 68 °F (NTP, 1992)DMSO（微量）、メタノール（微量）わずかに溶ける |
| 沸点 | 509 to 514 °F at 760 mmHg (NTP, 1992)265-268°C |
| 融点 | 180 to 183 °F (NTP, 1992)82-84 °C(lit.) |
| Physical Description | 3-dimethylaminophenol appears as needles (from ligroin) or a dark gray solid. (NTP, 1992) |
| 密度 | 1.0976 (rough estimate) |
| 屈折率 | 1.5895 (estimate) |
| 引火点 | 148 °C |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 外観・状態 | 粉 |
| pKa（酸解離定数） | 10.06±0.10(Predicted) |
| 色 | バイオレット |
| pH | 7 (10g/l, H2O, 20℃)(slurry) |
| BRN | 774631 |
| 安定性 | 安定。空気に敏感な場合があります。可燃性。強力な酸化剤とは相容れない。 |
| InChI | 1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3 |
| InChIKey | MESJRHHDBDCQTH-UHFFFAOYSA-N |
| SMILES | CN(C)c1cccc(O)c1 |
| CAS データベース | 99-07-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Phenol, 3-(dimethylamino)-(99-07-0) |
| EPAの化学物質情報 | m-(Dimethylamino)phenol (99-07-0) |
化学的特性
Brown to Purple Solid
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 152 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Phenol, 3-(dimethylamino)- |
| 火災危険 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes. |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | An amine and phenol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Phenols 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. |
| Air and Water Reactions | Sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 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. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| 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) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | SL1050000 |
| 税関コード | 29222900 |
| 危険文句（R） | 36/37/38-20/21/22 |
| 化審法 | (9)-2069 |
| 危険表示 | Xi,Xn |
| hazard_note | Irritant |
| 安全措置（S） | 26-36-36/37/39-22 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
キサンテン系塩基性染料の中間体。
使用
3-Dimethylaminophenol can be used as neostigmine bromide intermediate and dye intermediate.
一般的な説明
Needles (from ligroin) or a dark gray solid.