Description

Benzoic Acid, 4-Fluoro-3-Nitro-, 1,1-Dimethylethyl Ester is a high-purity, synthetically valuable aromatic ester building block, identified by CAS NO 579514-75-3. This compound is engineered to provide a protected carboxylic acid functionality with specific nitro and fluoro substituents, enabling precise chemical transformations in advanced synthesis. It is a critical intermediate for researchers and manufacturers in the pharmaceutical and agrochemical sectors, where its unique structure facilitates the development of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules requiring a fluorinated and nitrated benzoic acid derivative.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and pesticides, where the fluorine atom can enhance biological activity and stability.
• Organic Synthesis & Chemical Research: Serves as a versatile precursor for coupling reactions, esterifications, and the introduction of protected acid groups in complex molecule assembly.
• Material Science: Potential use in the development of specialty polymers, liquid crystals, and advanced organic materials requiring specific aromatic esters.
• Dye & Pigment Intermediate: Can be utilized in the synthesis of specialized dyes and pigments where nitro and fluoro groups modify color properties and lightfastness.

Basic Information

Product Name	Benzoic Acid, 4-Fluoro-3-Nitro-, 1,1-Dimethylethyl Ester
CAS No.	579514-75-3
Molecular Formula	C11H12FNO4
Molecular Weight	241.22 g/mol
Synonyms	tert-Butyl 4-fluoro-3-nitrobenzoate; 4-Fluoro-3-nitrobenzoic acid tert-butyl ester; 1,1-Dimethylethyl 4-fluoro-3-nitrobenzoate; Benzoic acid, 4-fluoro-3-nitro-, 1,1-dimethylethyl ester; tert-Butyl 4-fluoro-3-nitrobenzoate; 3-Nitro-4-fluorobenzoic acid tert-butyl ester; 4-Fluoro-3-nitro-benzoic acid tert-butyl ester
EINECS	Contact for details

Quality Control

Our Benzoic Acid, 4-Fluoro-3-Nitro-, 1,1-Dimethylethyl Ester is produced under strict quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide detailed Certificates of Analysis (COA) with each shipment, confirming compliance with customer specifications and supporting regulatory requirements for research and manufacturing.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). This material is easily oxidized and should be stored under an inert atmosphere (e.g., nitrogen or argon) for long-term stability. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.