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4-ニトロフタルイミド
4-ニトロフタルイミド · 5-ニトロ-1H-イソインドール-1,3(2H)-ジオン · 5-ニトロ-2H-イソインドール-1,3-ジオン · 4ニトロフタリミド · ４ニトロフタルイミド · 4‐ニトロフタルイミド · 5-ニトロ-1,3-ジヒドロ-2H-イソインドール-1,3-ジオン · 5-ニトロ-2,3-ジヒドロ-1H-イソインドール-1,3-ジオン
識別子と物理属性
| CAS No. | 89-40-7 |
|---|---|
| 分子式 | C8H4N2O4 |
| 平均分子量 | 192.13 g/mol |
| 単同位体質量 | 192.01710661 g/mol |
| SMILES | O=C1NC(=O)c2cc([N+](=O)[O-])ccc21 |
| InChIKey | ANYWGXDASKQYAD-UHFFFAOYSA-N |
| PubChem CID | 6969 |
| ChEMBL | CHEMBL1607202 |
| EC No. | 201-905-5 |
| DTXSID | DTXSID1025776 |
| 現地名 | 4-ニトロフタルイミド |
化学・物理的性質
| XLogP | 1 |
|---|---|
| 極性表面積 | 92 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 0 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 309 |
| 溶解度 | less than 0.1 mg/mL at 64 °F (NTP, 1992)<0.01 g/100 mL で 18 ºC |
| 融点 | 356 to 360 °F (NTP, 1992)206 °C |
| Physical Description | 4-nitrophthalimide is a yellow powder. (NTP, 1992) |
| 沸点 | 328.09°C (rough estimate) |
| 密度 | 1.5513 (rough estimate) |
| 屈折率 | 1.4900 (estimate) |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 7.79±0.20(Predicted) |
| 色 | 黄色い粉 |
| BRN | 180224 |
| 安定性 | 安定。可燃性。湿気、水、強酸化剤、強塩基とは混和しません。 |
| 主な用途 | 診断アッセイの製造血液学組織学 |
| InChI | 1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12) |
| InChIKey | ANYWGXDASKQYAD-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1 |
| CAS データベース | 89-40-7(CAS DataBase Reference) |
| NISTの化学物質情報 | 4-Nitro-phthalimide(89-40-7) |
| EPAの化学物質情報 | 4-Nitrophthalimide (89-40-7) |
化学的特性
slight yellow powder
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 46 reports by companies from 6 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. |
|---|---|
| 火災危険 | Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992) |
| 反応性グループ | Amines, Phosphines, and PyridinesNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Profile | A nitrated amine. Amines are combustible. The combustion of amines yields noxious NOx. REACTIVITY - 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. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. |
| Air and Water Reactions | This compound can be hydrolyzed. (NTP, 1992). Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| 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.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992) |
| 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.STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992) |
| 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 | TI5625000 |
| 毒性 | mmo-sat 333 mg/plate EMMUEG 11(Suppl 12),1,88 |
| 税関コード | 29251900 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (5)-81 |
| 危険表示 | Xi |
| hazard_note | Irritant |
| 安全措置（S） | 37/39-26-36-24/25 |
| 危険等級 | Eye 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
4-Nitrophthalimide is used as intermediate of organic synthesis and fluorescent dyes, it can be used to produce azo dyes, luminol, etc. It can also be used to prepare 4-nitrophthalonitrile, 5-cyanophthalide and other drug intermediates.
一般的な説明
Yellow powder.
製法・合成法
製造方法
4-Nitrophthalimide is synthesized from phthalimide by nitration. Cool the fuming nitric acid to below 5°C, slowly add concentrated sulfuric acid dropwise, and control the temperature to 10-13°C. Plus phthalimide. Leave at room temperature overnight. Then, it was poured into ice water with stirring, and the precipitate was precipitated below 20°C. Filter, wash with water, dry, and then recrystallize from ethanol to obtain 4-nitrophthalimide with a yield of 60%.