Description

Methyl 3-Nitro-4-Trifluoromethylbenzoate is a high-value fluorinated aromatic ester building block, essential for synthesizing complex molecules in advanced research and development. Its core value lies in the strategic combination of a nitro group and a trifluoromethyl group on the benzoate scaffold, enabling precise structural modifications and introducing desirable physicochemical properties. This compound is critically needed by pharmaceutical, agrochemical, and advanced material scientists for applications in medicinal chemistry, crop protection, and specialty polymer synthesis.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders and inflammatory diseases.
• Agrochemical Synthesis: Used in the research and development of novel herbicides and insecticides, where the trifluoromethyl group enhances biological activity and environmental stability.
• Liquid Crystal & OLED Material Research: Acts as a building block for fluorinated aromatic cores in advanced electronic display materials and organic light-emitting diodes (OLEDs).
• Dye & Pigment Intermediate: Employed in the production of specialized, high-performance dyes and pigments requiring nitro and fluorine substituents for color fastness and unique properties.
• Cross-Coupling Reactions: Functions as a versatile substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Stille) for constructing complex biaryl systems.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes and tags for studying biological processes and target engagement.

Basic Information

Product Name	Methyl 3-Nitro-4-Trifluoromethylbenzoate
CAS No.	126541-81-9
Molecular Formula	C9H6F3NO4
Molecular Weight	249.14 g/mol
Synonyms	3-Nitro-4-(trifluoromethyl)benzoic acid methyl ester; Methyl 3-nitro-4-(trifluoromethyl)benzoate; Benzoic acid, 3-nitro-4-(trifluoromethyl)-, methyl ester; Methyl 3-nitro-α,α,α-trifluoro-p-toluate; 4-(Trifluoromethyl)-3-nitrobenzoic acid methyl ester; Methyl 4-trifluoromethyl-3-nitrobenzoate; 3-Nitro-4-trifluoromethylbenzoic acid methyl ester
EINECS	Contact for details

Quality Control

Our Methyl 3-Nitro-4-Trifluoromethylbenzoate is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity. We employ advanced analytical techniques including HPLC, GC, NMR, and IR spectroscopy for comprehensive identity and purity verification. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming specifications for assay, related substances, and residual solvents. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥98.0%
Related Substances (HPLC)	Total impurities ≤2.0%
Melting Point	Contact for details
Loss on Drying	≤0.5%
Residual Solvents (GC)	Meets ICH guidelines

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