1016234-87-9

Basic information

• Product Name: 4-Bromo-5-fluoro-2-nitrophenol
• Synonyms: 4-Bromo-5-fluoro-2-nitrophenol;4-Bromo-5-fluoro-2-nitrophenol 97%;5-Bromo-4-fluoro-2-hydroxynitrobenzene
• CAS NO: 1016234-87-9
• Molecular Formula: C₆H₃BrFNO₃
• Molecular Weight: 235.9953232
• Mol File: 1016234-87-9.mol

Chemical Properties

• Boiling Point: 266.8±35.0 °C(Predicted)
• Appearance: /
• Density: 1.965±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 5.35±0.27(Predicted)
• CAS DataBase Reference: 4-Bromo-5-fluoro-2-nitrophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromo-5-fluoro-2-nitrophenol(1016234-87-9)
• EPA Substance Registry System: 4-Bromo-5-fluoro-2-nitrophenol(1016234-87-9)

Safety Data

• Hazardous Substances Data: 1016234-87-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Bromo-5-fluoro-2-nitrophenol is used as a key intermediate in the synthesis of various pharmaceuticals, particularly for the development of anticancer drugs and antiseptics. Its reactivity and structural features allow it to be a building block in the creation of these medicinal compounds, contributing to their therapeutic properties.
Used in Dye Industry:
In the dye industry, 4-Bromo-5-fluoro-2-nitrophenol is utilized as an intermediate in the production of dyes. Its chemical structure provides a foundation for the development of colorants used in various applications, such as textiles, plastics, and printing inks.
Used in Specialty Chemicals:
4-Bromo-5-fluoro-2-nitrophenol also serves as a versatile building block in the synthesis of specialty chemicals. Its unique combination of bromine, fluorine, and nitro groups allows it to be a component in the production of compounds with specific properties required for niche applications.
It is crucial to handle and store 4-Bromo-5-fluoro-2-nitrophenol with care due to its potential hazards if mismanaged, emphasizing the need for proper safety measures in its use and disposal.

Upstream product

• 446-36-6 5-fluoro-2-nitrophenol 
• 121219-03-2 4-bromo-3-fluorophenol 

Downstream Products

• 1016234-89-1 2-amino-4-bromo-5-fluorophenol 
• 1352244-78-0 1-(2-bromo-5-methoxy-4-nitrophenyl)-4-methylpiperazine 

Relevant articles and documents

Crystal structure and catalytic properties of a vanadium complex cis-[VO2(Him-py)(im-py)]2·3H2O

The coordination behavior of Him-py (2-(1H-imidazol-2-yl)pyridine) toward vanadium has been explored. The six-coordinate complex, cis-[VO2(Him-py)(im-py)]2·3H2O (1), was synthesized by the coordination reaction of NH4VO3 and Him-py in the aqueous methanol solution, which was characterized by single-crystal X-ray technology. It belongs to the monoclinic space group P21/n with a = 8.0756(6), b = 19.3531(15), c = 11.4433(8), β = 106.905(2), V = 1711.2(2), and Z = 2. The crystal structure shows that the six-coordinate vanadium is bonded to two cis-oxido ligands and two bidentate ligands, Him-py and im-py. Interestingly, when crystals of 1 were immersed in H2O2, a peroxovanadium compound, (H2im-py)[OV(O2)2(Him-py)] (2), was obtained, which crystallizes in the orthorhombic space group Fdd2 with a = 22.600(2), b = 22.7259(13), c = 18.0146(11), V = 9252.4(12), and Z = 16, and consists of a seven-coordinate peroxovanadate(V) ion, one Him-py and one H2im-py ligand. Moreover, we also studied the catalytic activity of 1 in the oxidative bromination of phenol/aniline-like compounds towards mimicking bromoperoxidase reactivity.

Crystal structure, NMR and catalytic properties of a bis-peroxovanadium [NH4][VO(O2)2(mpa)]·H2O

By reacting NH4VO3 and mpa (mpa = 4-methoxypicolinamide) in the presence of H2O2, a bis-peroxovanadium [NH4][VO(O2)2(mpa)]·H2O (1) was obtained and characterized by X-ray single-crystal diffraction. Structural analyses demonstrate that 1 belongs to the monoclinic space group P21/c and consists of a bis-peroxovanadium [VO(O2)2(mpa)]?, one NH4+ counterion and one free lattice water. Adjacent [VO(O2)2(mpa)]? anions construct a 3D supramolecular framework through intra- and intermolecular hydrogen bonding interactions. The compositions of 1 in solution are investigated by using multinuclear (1H, 13C, and 51V) magnetic resonance, COSY, HSQC, HMBC, and variable temperature NMR in a 0.15 mol L?1 NaCl/D2O solution that mimics the physiological conditions. Comparing the results of single-crystal X-ray and NMR experiments, the VV ion in the undissociated [VO(O2)2(mpa)]? in solution displays a similar seven-coordinate distorted pentagonal bipyramidal geometry with the solid-state crystal. The catalytic activity of the 1 in the oxidative bromination for phenol/aniline-like compounds to mimic bromoperoxidases reactivity was also studied.

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