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CAS RN: 75-05-8 | 產品號碼: A0060
| 產品號碼 | A0060 |
| 純度/分析方法 | >99.5%(GC) |
| 分子式 / 分子量 | C__2H__3N = 41.05 |
| 外觀與形狀（20°C） | Liquid |
| 儲存條件 | Room Temperature (Recommended in a cool and dark place, <15°C) |
| 儲存在惰性氣體下 | Store under inert gas |
| 應避免的情況 | Hygroscopic |
| CAS RN | 75-05-8 |
| Reaxys-RN | 741857 |
| PubChem Substance ID | 87561760 |
| SDBS (AIST Spectral DB) | 1218 |
| Merck Index(14) | 70 |
| MDL編號 | MFCD00001878 |
產品規格
| Appearance | Colorless clear liquid |
| Purity(GC) | min. 99.5 % |
| NMR | confirm to structure |
性質
| 熔點 | -46 °C |
| 沸點 | 82 °C |
| flp | 10 °C |
| 比重 | 0.78 |
| 折射率 | 1.34 |
| 水溶性 | Completely miscible |
| 溶解性（可與之混溶） | Alcohol, Ether |
GHS
| 圖形表示 |
|
| 信號詞 | Danger |
| 危險性說明 | H311 : Toxic in contact with skin. H332 : Harmful if inhaled. H319 : Causes serious eye irritation. H370 : Causes damage to organs. H373 : May cause damage to organs through prolonged or repeated exposure. H225 : Highly flammable liquid and vapor. |
| 防範說明 | P501 : Dispose of contents/ container to an approved waste disposal plant. P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray. P270 : Do not eat, drink or smoke when using this product. P240 : Ground/bond container and receiving equipment. P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking. P233 : Keep container tightly closed. P243 : Take precautionary measures against static discharge. P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment. P242 : Use only non-sparking tools. P271 : Use only outdoors or in a well-ventilated area. P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ eye protection/ face protection. P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish. P337 + P313 : If eye irritation persists: Get medical advice/ attention. P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor. P361 + P364 : Take off immediately all contaminated clothing and wash it before reuse. P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower. P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell. P403 + P235 : Store in a well-ventilated place. Keep cool. P405 : Store locked up. |
相關法規
| RTECS # | AL7700000 |
運輸資料
| UN編號 | UN1648 |
| 類別 | 3 |
| 包裝類別 | II |
| HS編碼* | 2926.90-000 |
Application
A Novel Cyanation Reaction of Arenes Using Acetonitrile as a Cyano Source
[Experimental Procedure]
Cyanation of Cumene (R=i-Pr) : An oven-dried Schlenk tube equipped with a magnetic stir bar is evacuated and backfilled with O2 three times. Cumene (0.5 mmol), N-iodosuccinimide (NIS) (1.05 eq., 0.525 mmol), Cu(ClO4)2·6H2O (20 mol%, 0.1 mmol), acetonitrile (1.2 mL) are added into the tube and the reaction is stirred at 150°C for 1 hour. The reaction mixture is allowed to cool down. Under O2, 1,10-phenanthroline (20 mol%, 0.1 mmol), TEMPO free radical (2 eq., 1 mmol), hexamethyldisilane (1 eq., 0.5 mmol) are added into the reaction mixture. The reaction is then heated up to 150°C for 2.5 days under O2. After completion, the insoluble is removed by filtration. The filtrate is concentrated under vacuo and the residue is purified by column chromatography on silica gel using EtOAc / petroleum ether to give the corresponding p- or o-cyanated cumenes as a yellow liquid (65 mg, 90% yield, p:o = 6:1).
Cyanation of Cumene (R=i-Pr) : An oven-dried Schlenk tube equipped with a magnetic stir bar is evacuated and backfilled with O2 three times. Cumene (0.5 mmol), N-iodosuccinimide (NIS) (1.05 eq., 0.525 mmol), Cu(ClO4)2·6H2O (20 mol%, 0.1 mmol), acetonitrile (1.2 mL) are added into the tube and the reaction is stirred at 150°C for 1 hour. The reaction mixture is allowed to cool down. Under O2, 1,10-phenanthroline (20 mol%, 0.1 mmol), TEMPO free radical (2 eq., 1 mmol), hexamethyldisilane (1 eq., 0.5 mmol) are added into the reaction mixture. The reaction is then heated up to 150°C for 2.5 days under O2. After completion, the insoluble is removed by filtration. The filtrate is concentrated under vacuo and the residue is purified by column chromatography on silica gel using EtOAc / petroleum ether to give the corresponding p- or o-cyanated cumenes as a yellow liquid (65 mg, 90% yield, p:o = 6:1).
References
- Acetonitrile as a Cyanating Reagent: Cu-Catalyzed Cyanation of Arenes
考研文獻
文章/手冊
TCIMail
[Research Articles] A Novel Cyanation Reaction of Arenes Using Acetonitrile as a Cyano Source產品文件 （部分產品的分析圖譜無法提供，敬請諒解。）
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