288067-35-6
基本信息
5-溴-2-氰基苯酚
4-溴-2-羟基苄腈
4-溴-2-羟基苯腈
2-羟基-4-溴苯腈
4-溴-2-羟基苯甲腈
4-溴-2-羟基苄腈 100G
4-BROMOSALICYLONITRILE
2-hydroxy-bromobenzonitrile
2-Hydroxy-4-bromobenzonitrile
4-BROMO-2-HYDROXYBENZONITRILE
Benzonitrile, 4-bromo-2-hydroxy-
4-Bromo-2-hydroxybenzonitrile >
4-Bromo-2-hydroxybenzonitrile, >=98%
5-Bromo-2-cyanophenol, 4-Bromosalicylonitrile
物理化学性质
| 熔点 | 160 °C |
| 沸点 | 295.1±25.0 °C(Predicted) |
| 密度 | 1.79±0.1 g/cm3(Predicted) |
| 储存条件 | Inert atmosphere,Room Temperature |
| 酸度系数(pKa) | 6.20±0.10(Predicted) |
| 形态 | 粉末晶体 |
| 颜色 | 白色至浅黄色至浅橙色 |
| InChI | InChI=1S/C7H4BrNO/c8-6-2-1-5(4-9)7(10)3-6/h1-3,10H |
| InChIKey | PAHSHGVACWNGEY-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(Br)C=C1O |
安全数据
| 危险性符号(GHS) | ![]() ![]() GHS06,GHS07 |
| 警示词 | 危险 |
| 危险性描述 | H301+H311+H331-H315-H319 |
| 防范说明 | P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501 |
| 危险品标志 | Xi |
| 危险品运输编号 | 3439 |
| Hazard Note | Irritant |
| 危险等级 | 6.1 |
| 包装类别 | III |
| 海关编码 | 2926907090 |
制备方法
105942-08-3
288067-35-6
以4-溴-2-氟苯腈为原料合成4-溴-2-羟基苯腈的一般步骤:将2-氟-5-溴苄腈(30 g,152.3 mmol)、乙酸钾(222.4 g,228.5 mmol)和18-冠-6醚(60.4 g,228.5 mmol)溶于乙腈(400 mL)中,加热回流36小时。反应完成后,将混合物冷却至室温,加入2.5 N NaOH溶液(200 mL),并在室温下搅拌过夜。反应混合物用乙醚萃取,弃去有机层。水层用6 N HCl酸化后,用乙酸乙酯萃取。合并有机层,用无水硫酸镁干燥,减压浓缩。粗产物通过快速柱色谱法(40%乙酸乙酯/正己烷)纯化,得到4-溴-2-羟基苯腈,为浅黄色泡沫状固体(24.45 g,产率81%)。核磁共振氢谱(300 MHz,DMSO-d6):δ 7.13(dd,J = 1.7, 8.3 Hz,1H),7.17(d,J = 1.7 Hz,1H),7.61(d,J = 8.3 Hz,1H)。
参考文献:
[1] Synthetic Communications, 2004, vol. 34, # 5, p. 751 - 758
[2] Heterocyclic Communications, 2011, vol. 17, # 1-2, p. 10 - 16
[3] Patent: US2004/14723, 2004, A1. Location in patent: Page/Page column 7
[4] Patent: EP2632465, 2015, B1. Location in patent: Paragraph 0416
[5] Patent: WO2008/25509, 2008, A1
4-溴-2-氰基苯酚价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2025/05/22 | B3120 | 4-溴-2-羟基苯腈 4-Bromo-2-hydroxybenzonitrile | 288067-35-6 | 1G | 110元 |
| 2025/05/22 | XW0228806735604 | 4-溴-2-羟基苯腈 | 288067-35-6 | 100G | 1198元 |
| 2025/05/22 | XW0228806735603 | 4-溴-2-羟基苯腈 | 288067-35-6 | 25G | 349元 |

