2-Fluoro-3-nitrobenzoic acid
2-Fluoro-3-nitrobenzoic acid 物理性質
- 融点 :
- 138 - 140°C
- 沸点 :
- 347.6±27.0 °C(Predicted)
- 比重(密度) :
- 1.568±0.06 g/cm3(Predicted)
- 貯蔵温度 :
- 2-8°C
- 溶解性:
- DMSO（少量）、メタノール（少量）
- 酸解離定数(Pka):
- 2.32±0.20(Predicted)
- 外見 :
- 個体
- 色:
- ホワイトからオフホワイト
- 水溶解度 :
- 水にわずかに溶ける。
- Sensitive :
- Air Sensitive
- 安定性：:
- 吸湿性
- InChI:
- InChI=1S/C7H4FNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
- InChIKey:
- WLGUSLGYTNJJFV-UHFFFAOYSA-N
- SMILES:
- C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1F
2-Fluoro-3-nitrobenzoic acid 価格
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2-Fluoro-3-nitrobenzoic acid 化学特性,用途語,生産方法
化学的特性
Light yellow crystalline powder
使用
2-Fluoro-3-nitrobenzoic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
合成
Concentrated sulfuric acid (195 ml) was added carefully and stirred to a solution of 2-fluoro-3-nitrotoluene (100 g, 645 mmol) in acetic acid (1000 ml). The mixture was warmed up to 95° C. The chromium trioxide solution (226 g, 2.25 mol) in water (200 ml) was added dropwise while stirring for over 2 h. After addition, the mixture was heated by stirring for another 3 h, allowed to cool down to room temperature, and poured into water (3 L). The mixture was extracted with ethyl acetate (3.x.1 L), the combined organic layers were dried over Na2SO4and concentrated under reduced pressure to afford a light green solid, which was washed with dichloromethane (3.x.300 ml) and dried under vacuum to afford 2-Fluoro-3-nitrobenzoic acid was obtained as a light yellow solid (75 g, 62.8percent). 1H NMR (300 MHz, DMSO) δ ppm 8.27 (m, 1H), 8.15 (m, 1H), 7.48 (m, 1H).
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