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3'-アミノアセトアニリド
3'-アミノアセトアニリド · アセチル-m-フェニレンジアミン · N-アセチル-1,3-フェニレンジアミン · N-(3-アミノフェニル)アセトアミド · m-アミノアセトアニリド · N-アセチル-m-フェニレンジアミン · 3-アミノセトアニリド · 3′-アミノアセトアニリド
識別子と物理属性
| CAS No. | 102-28-3 |
|---|---|
| 分子式 | C8H10N2O |
| 平均分子量 | 150.18 g/mol |
| 単同位体質量 | 150.07931294 g/mol |
| SMILES | CC(=O)Nc1cccc(N)c1 |
| InChIKey | PEMGGJDINLGTON-UHFFFAOYSA-N |
| PubChem CID | 7604 |
| ChEMBL | CHEMBL1606123 |
| EC No. | 203-021-5 |
| DTXSID | DTXSID2024454 |
| 現地名 | 3'-アミノアセトアニリド |
化学・物理的性質
| XLogP | 0.9 |
|---|---|
| 極性表面積 | 55.1 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 147 |
| 物質分類 | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 溶解度 | 10 to 50 mg/mL at 75 °F (NTP, 1992)24℃で1～5g/100mL |
| 沸点 | Decomposes at 1449 °F (NTP, 1992)271.72°C (rough estimate) |
| 融点 | 187.7 to 189.5 °F (NTP, 1992)86-88 °C(lit.) |
| Physical Description | M-aminoacetanilide is a gray solid. (NTP, 1992)[CAMEO] Light brown crystalline powder[Acros Organics MSDS] |
| 密度 | 1.1392 (rough estimate) |
| 屈折率 | 1.6180 (estimate) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 14.82±0.70(Predicted) |
| 色 | White to Gray to Brown |
| InChI | InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11) |
| InChIKey | PEMGGJDINLGTON-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=CC(N)=C1)(=O)C |
| CAS データベース | 102-28-3(CAS DataBase Reference) |
| EPAの化学物質情報 | 3'-Aminoacetanilide (102-28-3) |
化学的特性
light brown crystalline powder
安全性と法規制
| GHS 分類 | WarningH302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Status: Active Update: 30-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17428 |
| 火災危険 | Flash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992) |
| 有害性の概要 | A mild eye irritant[RTECS] An irritant[Acros Organics MSDS] See Acetanilide. |
| 反応性グループ | Amides and Imides |
| Reactivity Profile | Aromatic 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. |
| Air and Water Reactions | Soluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (21.1%) |
| 消火 | Fires involving this compound can be controlled using 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: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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 | AD8050000 |
| 毒性 | mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02899, |
| 税関コード | 29214200 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (3)-244 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36-37/39 |
| 危険等級 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
有機合成原料。
使用
3'-Aminoacetanilide is mainly used as reaction intermediates dyes and disperse dyes.
一般的な説明
Gray solid.