29270-56-2
基本信息
4-硝基-7-氯-2,1,3-苯并垩二唑
4-氟-7-硝基-2,1,3-苯并氧杂恶二唑
4-FLUORO-7-NITROBENZ-2-OXA-1,3-DIAZOLE
4-FLUORO-7-NITROBENZOFURAZAN
4-FLUORO-7-NITROBENZOFUROZAN
7-FLUORO-4-NITROBENZO-2-OXA-1,3-DIAZOLE
NBD-F
NBD FLUORIDE
NITROBENZOFURAZAN, 4-FLUORO-7-
4-FLUORO-7-NITROBENZOFURAZAN, FOR FLUORE SCENCE
NBD-F (=4-FLUORO-7-NITRO-2,1,3-BENZOXADIAZOLE)
4-Fluoro-7-nitrobenzofurazane
2,1,3-BENZOXADIAZOLE, 4-FLUORO-7-NITRO-
NBD-F (=4-Fluoro-7-nitro-2,1,3-benzoxadiazole) [for HPLC Labeling]
7-Fluoro-4-nitro-2,1,3-benzoxadiazole
7-Nitro-4-fluoro-2,1,3-benzoxadiazole
物理化学性质
| 熔点 | 52-54 °C(lit.) |
| 沸点 | 308.6±45.0 °C(Predicted) |
| 密度 | 1.6753 (estimate) |
| 闪点 | >230 °F |
| 储存条件 | 2-8°C |
| 溶解度 | 溶于DMSO、DMF、CH3OH、CH3CN和CHCl3。 |
| 酸度系数(pKa) | -5.59±0.50(Predicted) |
| 形态 | 结晶块 |
| 颜色 | 棕色 |
| BRN | 1077571 |
| InChI | InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H |
| InChIKey | PGZIDERTDJHJFY-UHFFFAOYSA-N |
| SMILES | N1=C2C([N+]([O-])=O)=CC=C(F)C2=NO1 |
| CAS 数据库 | 29270-56-2(CAS DataBase Reference) |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H315-H319 |
| 防范说明 | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 |
| 危险品标志 | Xi |
| 危险类别码 | R36/38 |
| 安全说明 | S26-S36-S39 |
| WGK Germany | 3 |
| F | 10-21 |
| 海关编码 | 29349990 |
| 存储类别 | 11 - Combustible Solids |
| 危险性类别 | Eye Irrit. 2 Skin Irrit. 2 |
应用领域
制备方法
29270-55-1
29270-56-2
以4-氟-2,1,3-苯并恶二唑为原料合成4-氟-7-硝基-2,1,3-苯并恶二唑的一般步骤:将4-氟-2,1,3-苯并恶二唑(1.00g,7.24mmol)溶于浓H2SO4(8mL)中,冷却至-10℃。在搅拌下,缓慢滴加硝化混合物(H2SO4:HNO3,3:1,2.40mL)。保持反应温度在-10℃,继续搅拌1小时。通过TLC和LCMS监测反应进度。反应完成后,将反应混合物用H2O(250mL)淬灭,并用EtOAc(2×250mL)萃取。合并有机层,用无水Na2SO4干燥,减压浓缩。粗产物通过快速柱色谱法(洗脱剂:己烷中0至10% EtOAc梯度)纯化,得到4-氟-7-硝基-2,1,3-苯并恶二唑(0.39g,黄色固体),产率30%。1H NMR(400MHz,DMSO-d6)δ 7.70(d,J=8.40Hz,1H),8.77-8.80(m,1H)。
参考文献:
[1] Journal of the American Chemical Society, 2016, vol. 138, # 48, p. 15596 - 15604
[2] Patent: WO2018/122232, 2018, A1. Location in patent: Page/Page column 213
[3] Tetrahedron Letters, 2011, vol. 52, # 20, p. 2533 - 2535
图谱信息
4-氟-7-硝基苯并-2-氧杂-1,3-二唑(29270-56-2)质谱(MS)4-氟-7-硝基苯并-2-氧杂-1,3-二唑(29270-56-2)核磁图(1HNMR)4-氟-7-硝基苯并-2-氧杂-1,3-二唑(29270-56-2)核磁图(13CNMR)4-氟-7-硝基苯并-2-氧杂-1,3-二唑(29270-56-2)红外图谱(IR1)知名试剂公司产品信息
NBD-F, 98%(29270-56-2) Acros Organics
4-氟-7-硝基苯并-2-氧杂-1,3-二唑价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/09/15 | HY-D0785 | 4-氟-7-硝基苯并-2-氧杂-1,3-二唑 NBD-F | 29270-56-2 | 50mg | 390元 |
| 2026/09/15 | HY-D0785 | 4-氟-7-硝基苯并-2-氧杂-1,3-二唑 NBD-F | 29270-56-2 | 10mM * 1mLin DMSO | 429元 |
| 2026/09/15 | HY-D0785 | 4-氟-7-硝基苯并-2-氧杂-1,3-二唑 NBD-F | 29270-56-2 | 100mg | 679.9元 |
常见问题列表
As the percentage of the organic phase changes, the retention time of NBD-F remains relatively stable, while the retention times of the derivatization products changes. The pH of the mobile phase affects the separation of the NBD-F and the derivatization products. NBD-F is a fluorescent derivatization reagent that is originally developed for amino acid analysis, and recently applied to the analysis of other amino acid derivatives such as N-methyl-D-aspartic acid and glutathione. The use of NBD-F appears to have several advantages in that the derivatization procedure is simple and its derivatives are highly stable.
