2-Methoxy-1-Phenylethanone 2-甲氧基苯乙酮
CAS 4079-52-1 MFCD00008499
化学结构图
SMILES: COCC(=O)c1ccccc1
化学属性
| Mol. Formula | C9H10O2 |
|---|---|
| Mol. Weight | 150.17 |
| Density | 1.09 g/mL at 25 °C(lit.) |
| Boiling Point | 122-123 °C at 18 mmHg |
| Melting Point | 7-8 °C |
| Refractive index | n20/D 1.5365(lit.) |
| Flash Point | 215 °F |
| Appearance | 无色液体。熔点7-8℃，沸点122-123℃（2.4kPa），相对密度1.090，折光率1.5365（20℃）。不溶于水，溶于乙醇、乙醚。 |
别名和识别编码
| Chemical Name | 2-Methoxy-1-Phenylethanone |
|---|---|
| MDL Number | MFCD00008499 |
| CAS Number | 4079-52-1 |
| PubChem Substance ID | 77698 |
| EC Number | 223-802-4 |
| Synonym | 2-Methoxyacetophenone {LY} 2-Methoxyacetophenone {} {LY} 2-Methoxyacetophenone {} {} {LY} 2-Methoxyacetophenone {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methoxyacetop |
| Chemical Name Translation | 2-甲氧基苯乙酮 |
| InChIKey | YRNDGUSDBCARGC-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00224118 |
| Canonical SMILES | O=C(C1=CC=CC=C1)COC |
| InChI | InChI=1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
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分类
- {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
安全信息
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P302+P352
- P304+P340
- P305+P351+P338
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P337+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
其他信息
- Sigma Aldrich:4079-52-1(sigmaaldrich)
- 上游原料:乙醚 --> 溴苯 --> 稀硫酸 --> 格氏试剂 --> 水解物 --> 甲氧基乙腈 --> 2'-甲氧基苯乙酮
- MOL 文件:4079-52-1.mol
- 用途一:用于有机合成。
- 方法一:先取镁屑、溴苯和无水乙醚制成苯基溴化镁格氏试剂，在搅拌下将甲氧基乙腈-无水乙醚溶液加到冷却的格式试剂中。放置2h，加入水和碎冰，加稀硫酸进行水分解。从水解物中分出醚层，回收乙醚后减压蒸馏，收集118-120℃（2.0kPa）馏分，得2-甲氧基苯乙酮。
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